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

Formula:C23H12N2OClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C23H12N2OClF3S
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChI	InChI=1S/C23H12ClF3N2OS/c24-19-8-6-16(23(25,26)27)11-18(19)21-9-7-17(30-21)10-15(12-28)22-29-20(13-31-22)14-4-2-1-3-5-14/h1-11,13H
InChIK	KWVSSDBTJJDLNK-UHFFFAOYSA-N
TotalMolweight	456.874
Molweight	456.874
MonoisotopicMass	456.031094
CLogP	6.3061
CLogS	-7.411
H Acceptors	3
TotalSurfaceArea	328.23
Relative PSA	0.17975
PolarSurfaceArea	78.06
Druglikeness	-7.8476
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

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

Request More Details | (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-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