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

Formula:C21H13N4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
MolecularFormula	C21H13N4ClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c1c(-c2ccccc2)[nH]nc1
InChI	InChI=1S/C21H13ClN4S/c22-18-8-6-14(7-9-18)19-13-27-21(25-19)16(11-23)10-17-12-24-26-20(17)15-4-2-1-3-5-15/h1-10,12-13H,(H,24,26)
InChIK	CWWNKCCKSRAVAC-UHFFFAOYSA-N
TotalMolweight	388.881
Molweight	388.881
MonoisotopicMass	388.054943
CLogP	4.1627
CLogS	-5.524
H Acceptors	4
H Donors	1
TotalSurfaceArea	297.41
Relative PSA	0.23486
PolarSurfaceArea	93.6
Druglikeness	0.4486
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments