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

Formula:C34H29N2O2FS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-benzyl-2-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
MolNameN-benzyl-2-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormulaC34H29N2O2FS
SmilesO=C(c1c(/N=C\c(c2ccccc2cc2)c2OCc(cccc2)c2F)sc2c1CCCC2)NCc1ccccc1
InChIInChI=1S/C34H29FN2O2S/c35-29-16-8-5-13-25(29)22-39-30-19-18-24-12-4-6-14-26(24)28(30)21-37-34-32(27-15-7-9-17-31(27)40-34)33(38)36-20-23-10-2-1-3-11-23/h1-6,8,10-14,16,18-19,21H,7,9,15,17,20,22H2,(H,36,38)
InChIKVNRQJUCSLLKXAE-UHFFFAOYSA-N
TotalMolweight548.68
Molweight548.68
MonoisotopicMass548.193376
CLogP7.7466
CLogS-8.999
H Acceptors4
H Donors1
TotalSurfaceArea422.46
Relative PSA0.1571
PolarSurfaceArea78.93
Druglikeness-1.7081
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.475
Fragments1
Non HAtoms40
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms7
Symmetricatoms2
Amides1
StereoCon

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