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

Formula:C32H22N4O6Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-(4-chlorobenzoyl)oxy-4-[(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-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormulaC32H22N4O6Cl2S
SmilesN#Cc1c(NC(C(N/N=C\c(ccc(OC(c(cc2)ccc2Cl)=O)c2)c2OC(c(cc2)ccc2Cl)=O)=O)=O)sc2c1CCCC2
InChIInChI=1S/C32H22Cl2N4O6S/c33-21-10-5-18(6-11-21)31(41)43-23-14-9-20(26(15-23)44-32(42)19-7-12-22(34)13-8-19)17-36-38-29(40)28(39)37-30-25(16-35)24-3-1-2-4-27(24)45-30/h5-15,17H,1-4H2,(H,37,39)(H,38,40)
InChIKMOXPHNYMKQNOFH-UHFFFAOYSA-N
TotalMolweight661.521
Molweight661.521
MonoisotopicMass660.06371
CLogP7.2655
CLogS-9.962
H Acceptors10
H Donors2
TotalSurfaceArea481.25
Relative PSA0.29197
PolarSurfaceArea175.19
Druglikeness-4.4322
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index0.48889
Fragments1
Non HAtoms45
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms4
Amides1
StereoCon

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