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

Formula:C31H21N4OClS Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-4-(4-chloroanilino)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-1,3-thiazol-2-one is not a drug-like molecule.

MolName	(5Z)-4-(4-chloroanilino)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-1,3-thiazol-2-one
MolecularFormula	C31H21N4OClS
Smiles	O=C(N=C1Nc(cc2)ccc2Cl)S/C1=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C31H21ClN4OS/c32-24-13-15-25(16-14-24)33-30-29(38-31(37)34-30)19-21-11-17-26(18-12-21)36-28(23-9-5-2-6-10-23)20-27(35-36)22-7-3-1-4-8-22/h1-20H,(H,33,34,37)
InChIK	CYPJDUDKXLYFTN-UHFFFAOYSA-N
TotalMolweight	533.054
Molweight	533.054
MonoisotopicMass	532.112458
CLogP	6.3334
CLogS	-8.739
H Acceptors	5
H Donors	1
TotalSurfaceArea	396.56
Relative PSA	0.1799
PolarSurfaceArea	84.58
Druglikeness	4.3226
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	8
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

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

Request More Details | (5Z)-4-(4-chloroanilino)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-1,3-thiazol-2-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments