(E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C33H22N4S Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C33H22N4S
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C33H22N4S/c34-22-28(33-35-31(23-38-33)26-12-6-2-7-13-26)20-24-16-18-29(19-17-24)37-32(27-14-8-3-9-15-27)21-30(36-37)25-10-4-1-5-11-25/h1-21,23H
InChIK	JJURAJXOJSGZNO-UHFFFAOYSA-N
TotalMolweight	506.632
Molweight	506.632
MonoisotopicMass	506.156516
CLogP	6.5821
CLogS	-7.728
H Acceptors	4
TotalSurfaceArea	401.14
Relative PSA	0.15638
PolarSurfaceArea	82.74
Druglikeness	0.29225
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	34
Symmetricatoms	8
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

1 - (E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile | 2 - (E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Request More Details | (E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments