2-[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]benzo[f]chromen-3-one

Formula:C36H27N3O2S Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]benzo[f]chromen-3-one is not a drug-like molecule.

MolName	2-[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]benzo[f]chromen-3-one
MolecularFormula	C36H27N3O2S
Smiles	O=C(C(c1cnc(N(C(C2CCC3)c4ccccc4)N=C2/C3=C\c2ccccc2)s1)=C1)Oc2c1c1ccccc1cc2
InChI	InChI=1S/C36H27N3O2S/c40-35-30(21-29-27-16-8-7-12-24(27)18-19-31(29)41-35)32-22-37-36(42-32)39-34(25-13-5-2-6-14-25)28-17-9-15-26(33(28)38-39)20-23-10-3-1-4-11-23/h1-8,10-14,16,18-22,28,34H,9,15,17H2
InChIK	SQWUQFQPOISLGK-UHFFFAOYSA-N
TotalMolweight	565.695
Molweight	565.695
MonoisotopicMass	565.182397
CLogP	8.3012
CLogS	-8.495
H Acceptors	5
TotalSurfaceArea	418.06
Relative PSA	0.16608
PolarSurfaceArea	83.03
Druglikeness	1.4592
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	low
Nasty Functions
Shape Index	0.45238
Fragments	1
Non HAtoms	42
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	4
Rings Closures	8
Small Rings	8
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	unknown chirality

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1 - 2-[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]benzo[f]chromen-3-one | 2 - 2-[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]benzo[f]chromen-3-one

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