(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C27H21N3OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C27H21N3OS2
Smiles	O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)N(CCc2ccccc2)C1=S
InChI	InChI=1S/C27H21N3OS2/c31-26-24(33-27(32)29(26)17-16-20-10-4-1-5-11-20)18-22-19-30(23-14-8-3-9-15-23)28-25(22)21-12-6-2-7-13-21/h1-15,18-19H,16-17H2
InChIK	XBFLWASKNXAZFV-UHFFFAOYSA-N
TotalMolweight	467.616
Molweight	467.616
MonoisotopicMass	467.112602
CLogP	4.1643
CLogS	-6.086
H Acceptors	4
TotalSurfaceArea	357.48
Relative PSA	0.22356
PolarSurfaceArea	95.52
Druglikeness	6.0148
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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