(Z)-N-(2-phenylethyl)-4-(4-phenylphenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

Formula:C29H24N4S Mutagenic:low Tumorigenic:none Reproductive Effective:none (Z)-N-(2-phenylethyl)-4-(4-phenylphenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.

MolName(Z)-N-(2-phenylethyl)-4-(4-phenylphenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
MolecularFormulaC29H24N4S
SmilesC(C/N=C1\SC=C(c(cc2)ccc2-c2ccccc2)N1/N=C\c1ncccc1)c1ccccc1
InChIInChI=1S/C29H24N4S/c1-3-9-23(10-4-1)18-20-31-29-33(32-21-27-13-7-8-19-30-27)28(22-34-29)26-16-14-25(15-17-26)24-11-5-2-6-12-24/h1-17,19,21-22H,18,20H2
InChIKQVKOBBVPOLATDP-UHFFFAOYSA-N
TotalMolweight460.604
Molweight460.604
MonoisotopicMass460.172166
CLogP6.6105
CLogS-7.222
H Acceptors4
TotalSurfaceArea365.55
Relative PSA0.15054
PolarSurfaceArea66.15
Druglikeness4.7094
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.52941
Fragments1
Non HAtoms34
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms3
Symmetricatoms6
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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