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2-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C33H27N2O2FS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
MolName2-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormulaC33H27N2O2FS
SmilesO=C(c1c(/N=C\c(c2ccccc2cc2)c2OCc(cccc2)c2F)sc2c1CCCC2)Nc1ccccc1
InChIInChI=1S/C33H27FN2O2S/c34-28-16-8-5-11-23(28)21-38-29-19-18-22-10-4-6-14-25(22)27(29)20-35-33-31(26-15-7-9-17-30(26)39-33)32(37)36-24-12-2-1-3-13-24/h1-6,8,10-14,16,18-20H,7,9,15,17,21H2,(H,36,37)
InChIKBBXVMQYZULKTDY-UHFFFAOYSA-N
TotalMolweight534.653
Molweight534.653
MonoisotopicMass534.177726
CLogP8.0372
CLogS-9.183
H Acceptors4
H Donors1
TotalSurfaceArea408.7
Relative PSA0.16239
PolarSurfaceArea78.93
Druglikeness-2.0933
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.46154
Fragments1
Non HAtoms39
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond7
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms6
Symmetricatoms2
Amides1
StereoCon

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