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

Formula:C32H24N3O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-4-yl]-6-bromochromen-2-one is not a drug-like molecule.

MolName	3-[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-4-yl]-6-bromochromen-2-one
MolecularFormula	C32H24N3O2BrS
Smiles	O=C1Oc(ccc(Br)c2)c2C=C1c1csc(N(C(C2CCC3)c4ccccc4)N=C2/C3=C\c2ccccc2)n1
InChI	InChI=1S/C32H24BrN3O2S/c33-24-14-15-28-23(17-24)18-26(31(37)38-28)27-19-39-32(34-27)36-30(21-10-5-2-6-11-21)25-13-7-12-22(29(25)35-36)16-20-8-3-1-4-9-20/h1-6,8-11,14-19,25,30H,7,12-13H2
InChIK	JXGIBAXFHLPEMJ-UHFFFAOYSA-N
TotalMolweight	594.532
Molweight	594.532
MonoisotopicMass	593.077258
CLogP	7.8038
CLogS	-7.637
H Acceptors	5
TotalSurfaceArea	402.09
Relative PSA	0.17267
PolarSurfaceArea	83.03
Druglikeness	-0.080047
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	4
Rings Closures	7
Small Rings	7
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	unknown chirality

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

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