(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one

Formula:C29H25N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
MolecularFormula	C29H25N5OS
Smiles	O=C1N=C(N(CC2)CCN2c2ccccc2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C29H25N5OS/c35-28-26(36-29(30-28)33-18-16-32(17-19-33)24-12-6-2-7-13-24)20-23-21-34(25-14-8-3-9-15-25)31-27(23)22-10-4-1-5-11-22/h1-15,20-21H,16-19H2
InChIK	KJUCAJVRSMRPEJ-UHFFFAOYSA-N
TotalMolweight	491.618
Molweight	491.618
MonoisotopicMass	491.17798
CLogP	4.1086
CLogS	-5.77
H Acceptors	6
TotalSurfaceArea	372.06
Relative PSA	0.18002
PolarSurfaceArea	79.03
Druglikeness	7.9136
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	8
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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