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C27H23N4O4Cl | Cheminformatics
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4-chloro-N-[(2R)-1-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

Molecular Formula : C27H23N4O4Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-chloro-N-[(2R)-1-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide is not a drug-like molecule.

MolName : 4-chloro-N-[(2R)-1-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

MolecularFormula : C27H23N4O4Cl

Smiles : O=C([C@@H](Cc1c[nH]c2c1cccc2)NC(c(cc1)ccc1Cl)=O)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C27H23ClN4O4/c28-20-8-6-18(7-9-20)26(33)31-23(14-19-16-29-22-4-2-1-3-21(19)22)27(34)32-30-15-17-5-10-24-25(13-17)36-12-11-35-24/h1-10,13,15-16,23,29H,11-12,14H2,(H,31,33)(H,32,34)/t23-/m1/s1

InChIK : NYGVILJLFKKKDE-HSZRJFAPSA-N

TotalMolweight : 502.957

Molweight : 502.957

MonoisotopicMass : 502.140783

CLogP : 4.7107

CLogS : -6.444

H Acceptors : 8

H Donors : 3

TotalSurfaceArea : 375.83

Relative PSA : 0.25144

PolarSurfaceArea : 104.81

Druglikeness : 0.13474

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.5

Fragments : 1

Non HAtoms : 36

NonCHAtoms : 9

Electronegative Atoms : 9

StereoCenters : 1

Rotatable Bond : 7

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 21

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon : this enantiomer

Click to Load Molecule:
1 - 4-chloro-N-[(2R)-1-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
2 - 4-chloro-N-[(2R)-1-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
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Request More Details | 4-chloro-N-[(2R)-1-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide


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