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C24H22N2O5 | Cheminformatics
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N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide

Molecular Formula : C24H22N2O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide is a drug-like molecule.

MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide

MolecularFormula : C24H22N2O5

Smiles : O=C(COc(cc1)ccc1OCc1ccccc1)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C24H22N2O5/c27-24(26-25-15-19-6-11-22-23(14-19)29-13-12-28-22)17-31-21-9-7-20(8-10-21)30-16-18-4-2-1-3-5-18/h1-11,14-15H,12-13,16-17H2,(H,26,27)

InChIK : NVBIQXCFHHKSNG-UHFFFAOYSA-N

TotalMolweight : 418.448

Molweight : 418.448

MonoisotopicMass : 418.152873

CLogP : 4.1034

CLogS : -5.024

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 328.29

Relative PSA : 0.23153

PolarSurfaceArea : 78.38

Druglikeness : -2.6834

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.70968

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 8

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 8

Symmetricatoms : 4

StereoCon :

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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
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