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C22H21N4O3Cl | Cheminformatics
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3-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide

Molecular Formula : C22H21N4O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
3-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide is a drug-like molecule.

MolName : 3-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide

MolecularFormula : C22H21N4O3Cl

Smiles : O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cccc(Cl)c2)=O)c1)N1CCOCC1

InChI : InChI=1S/C22H21ClN4O3/c23-18-5-3-4-16(12-18)22(29)25-24-13-17-14-27(20-7-2-1-6-19(17)20)15-21(28)26-8-10-30-11-9-26/h1-7,12-14H,8-11,15H2,(H,25,29)

InChIK : NUNSCXMKJDITDW-UHFFFAOYSA-N

TotalMolweight : 424.887

Molweight : 424.887

MonoisotopicMass : 424.130218

CLogP : 3.1487

CLogS : -3.822

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 319.56

Relative PSA : 0.21739

PolarSurfaceArea : 75.93

Druglikeness : 6.2757

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.56667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon :

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1 - 3-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
2 - 3-chloro-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
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