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

Formula:C25H18N4O4BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.
MolName[4-bromo-2-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
MolecularFormulaC25H18N4O4BrClS
SmilesN#Cc1c(NC(C(N/N=C\c(cc(cc2)Br)c2OC(c(cccc2)c2Cl)=O)=O)=O)sc2c1CCCC2
InChIInChI=1S/C25H18BrClN4O4S/c26-15-9-10-20(35-25(34)17-6-1-3-7-19(17)27)14(11-15)13-29-31-23(33)22(32)30-24-18(12-28)16-5-2-4-8-21(16)36-24/h1,3,6-7,9-11,13H,2,4-5,8H2,(H,30,32)(H,31,33)
InChIKHFGDNSUDMWMFJR-UHFFFAOYSA-N
TotalMolweight585.865
Molweight585.865
MonoisotopicMass583.992064
CLogP5.9542
CLogS-8.59
H Acceptors8
H Donors2
TotalSurfaceArea396.95
Relative PSA0.29593
PolarSurfaceArea148.89
Druglikeness-6.2222
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index0.52778
Fragments1
Non HAtoms36
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms5
Amides1
StereoCon

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


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