(5E)-2-(4-benzhydrylpiperazin-1-yl)-5-[(2-chlorophenyl)methylidene]-1,3-thiazol-4-one

Formula:C27H24N3OClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (5E)-2-(4-benzhydrylpiperazin-1-yl)-5-[(2-chlorophenyl)methylidene]-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5E)-2-(4-benzhydrylpiperazin-1-yl)-5-[(2-chlorophenyl)methylidene]-1,3-thiazol-4-one
MolecularFormula	C27H24N3OClS
Smiles	O=C1N=C(N(CC2)CCN2C(c2ccccc2)c2ccccc2)S/C1=C/c(cccc1)c1Cl
InChI	InChI=1S/C27H24ClN3OS/c28-23-14-8-7-13-22(23)19-24-26(32)29-27(33-24)31-17-15-30(16-18-31)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,25H,15-18H2
InChIK	SJAQQELWRMPPTH-UHFFFAOYSA-N
TotalMolweight	474.027
Molweight	474.027
MonoisotopicMass	473.132859
CLogP	5.4343
CLogS	-5.731
H Acceptors	4
TotalSurfaceArea	352.26
Relative PSA	0.1395
PolarSurfaceArea	61.21
Druglikeness	6.4572
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	10
Amines	1
AlkylAmines	1
BasicNitrogens	2
StereoCon

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