(2Z)-2-[3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-phenylethyl)acetamide

Formula:C27H21N3O2BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:high (2Z)-2-[3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-phenylethyl)acetamide is not a drug-like molecule.

MolName	(2Z)-2-[3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-phenylethyl)acetamide
MolecularFormula	C27H21N3O2BrClS
Smiles	N#C/C(/C(NCCc1ccccc1)=O)=C(\N1c(cc2)ccc2Br)/SC(Cc(cc2)ccc2Cl)C1=O
InChI	InChI=1S/C27H21BrClN3O2S/c28-20-8-12-22(13-9-20)32-26(34)24(16-19-6-10-21(29)11-7-19)35-27(32)23(17-30)25(33)31-15-14-18-4-2-1-3-5-18/h1-13,24H,14-16H2,(H,31,33)/t24-/m1/s1
InChIK	BOJJXJKDJRPQMI-XMMPIXPASA-N
TotalMolweight	566.906
Molweight	566.906
MonoisotopicMass	565.022635
CLogP	6.1858
CLogS	-7.312
H Acceptors	5
H Donors	1
TotalSurfaceArea	386.49
Relative PSA	0.18665
PolarSurfaceArea	98.5
Druglikeness	-0.030185
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
Amides	2
StereoCon	racemate

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1 - (2Z)-2-[3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-phenylethyl)acetamide | 2 - (2Z)-2-[3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-phenylethyl)acetamide

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