(5Z)-5-[(E)-1,5-bis(4-bromophenyl)-5-oxo-3-phenylpent-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one

Formula:C30H24N2O2Br2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (5Z)-5-[(E)-1,5-bis(4-bromophenyl)-5-oxo-3-phenylpent-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5Z)-5-[(E)-1,5-bis(4-bromophenyl)-5-oxo-3-phenylpent-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
MolecularFormula	C30H24N2O2Br2S
Smiles	O=C(C/C(/c1ccccc1)=C\C(\c(cc1)ccc1Br)=C1\SC(N2CCCC2)=NC1=O)c(cc1)ccc1Br
InChI	InChI=1S/C30H24Br2N2O2S/c31-24-12-8-21(9-13-24)26(28-29(36)33-30(37-28)34-16-4-5-17-34)18-23(20-6-2-1-3-7-20)19-27(35)22-10-14-25(32)15-11-22/h1-3,6-15,18H,4-5,16-17,19H2
InChIK	XMCQVQUBKNFSOM-UHFFFAOYSA-N
TotalMolweight	636.407
Molweight	636.407
MonoisotopicMass	633.99252
CLogP	7.0792
CLogS	-7.781
H Acceptors	4
TotalSurfaceArea	405.73
Relative PSA	0.1445
PolarSurfaceArea	75.04
Druglikeness	2.7612
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.43243
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	8
BasicNitrogens	1
StereoCon

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1 - (5Z)-5-[(E)-1,5-bis(4-bromophenyl)-5-oxo-3-phenylpent-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one | 2 - (5Z)-5-[(E)-1,5-bis(4-bromophenyl)-5-oxo-3-phenylpent-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one

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