[3-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C25H19N4O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[3-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormula	C25H19N4O4ClS
Smiles	N#Cc1c(NC(C(N/N=C\c2cccc(OC(c(cc3)ccc3Cl)=O)c2)=O)=O)sc2c1CCCC2
InChI	InChI=1S/C25H19ClN4O4S/c26-17-10-8-16(9-11-17)25(33)34-18-5-3-4-15(12-18)14-28-30-23(32)22(31)29-24-20(13-27)19-6-1-2-7-21(19)35-24/h3-5,8-12,14H,1-2,6-7H2,(H,29,31)(H,30,32)
InChIK	XGBQEPVFWFAKIO-UHFFFAOYSA-N
TotalMolweight	506.969
Molweight	506.969
MonoisotopicMass	506.081553
CLogP	5.229
CLogS	-7.756
H Acceptors	8
H Donors	2
TotalSurfaceArea	378.32
Relative PSA	0.3105
PolarSurfaceArea	148.89
Druglikeness	-4.4322
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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1 - [3-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

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