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N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide

Formula:C29H23N4O3BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide is not a drug-like molecule.
MolNameN'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide
MolecularFormulaC29H23N4O3BrS
SmilesN#Cc1c(NC(C(N/N=C\c(c2ccccc2cc2)c2OCc2cccc(Br)c2)=O)=O)sc2c1CCCC2
InChIInChI=1S/C29H23BrN4O3S/c30-20-8-5-6-18(14-20)17-37-25-13-12-19-7-1-2-9-21(19)24(25)16-32-34-28(36)27(35)33-29-23(15-31)22-10-3-4-11-26(22)38-29/h1-2,5-9,12-14,16H,3-4,10-11,17H2,(H,33,35)(H,34,36)
InChIKWMGWPMGUYJZOPT-UHFFFAOYSA-N
TotalMolweight587.497
Molweight587.497
MonoisotopicMass586.067422
CLogP6.4602
CLogS-9.331
H Acceptors7
H Donors2
TotalSurfaceArea412.14
Relative PSA0.25338
PolarSurfaceArea131.82
Druglikeness-6.3215
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index0.5
Fragments1
Non HAtoms38
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms6
Amides1
StereoCon

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