2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4,5-diphenyl-1,3-thiazole

Formula:C35H29N3S Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4,5-diphenyl-1,3-thiazole is not a drug-like molecule.

MolName	2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4,5-diphenyl-1,3-thiazole
MolecularFormula	C35H29N3S
Smiles	C(CC(C1c2ccccc2)C2=NN1c1nc(-c3ccccc3)c(-c3ccccc3)s1)C/C2=C\c1ccccc1
InChI	InChI=1S/C35H29N3S/c1-5-14-25(15-6-1)24-29-22-13-23-30-31(29)37-38(33(30)27-18-9-3-10-19-27)35-36-32(26-16-7-2-8-17-26)34(39-35)28-20-11-4-12-21-28/h1-12,14-21,24,30,33H,13,22-23H2
InChIK	YFFHLQJPTOZXEU-UHFFFAOYSA-N
TotalMolweight	523.702
Molweight	523.702
MonoisotopicMass	523.208217
CLogP	9.5801
CLogS	-8.953
H Acceptors	3
TotalSurfaceArea	404.26
Relative PSA	0.11475
PolarSurfaceArea	56.73
Druglikeness	1.469
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.41026
Fragments	1
Non HAtoms	39
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	2
Rotatable Bond	5
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	5
Symmetricatoms	8
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	unknown chirality

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1 - 2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4,5-diphenyl-1,3-thiazole | 2 - 2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4,5-diphenyl-1,3-thiazole

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