[3-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate

Formula:C31H21N4O5ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.

MolName	[3-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
MolecularFormula	C31H21N4O5ClS
Smiles	O=C(C(N/N=C\c1cccc(OC(c(sc2c3cccc2)c3Cl)=O)c1)=O)Nc(cccc1)c1C(Nc1ccccc1)=O
InChI	InChI=1S/C31H21ClN4O5S/c32-26-23-14-5-7-16-25(23)42-27(26)31(40)41-21-12-8-9-19(17-21)18-33-36-30(39)29(38)35-24-15-6-4-13-22(24)28(37)34-20-10-2-1-3-11-20/h1-18H,(H,34,37)(H,35,38)(H,36,39)
InChIK	WPXKVGPTNMANQL-UHFFFAOYSA-N
TotalMolweight	597.05
Molweight	597.05
MonoisotopicMass	596.092118
CLogP	6.2491
CLogS	-8.592
H Acceptors	9
H Donors	3
TotalSurfaceArea	438.64
Relative PSA	0.29275
PolarSurfaceArea	154.2
Druglikeness	4.648
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide; 3-halo-enone
Shape Index	0.57143
Fragments	1
Non HAtoms	42
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	1
Symmetricatoms	2
Amides	2
StereoCon

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1 - [3-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [3-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate

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