(E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C23H13N3ClF3S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C23H13N3ClF3S
Smiles	N#C/C(/c1nc(-c2cccc3ccccc23)cs1)=C\Nc(cc1)cc(C(F)(F)F)c1Cl
InChI	InChI=1S/C23H13ClF3N3S/c24-20-9-8-16(10-19(20)23(25,26)27)29-12-15(11-28)22-30-21(13-31-22)18-7-3-5-14-4-1-2-6-17(14)18/h1-10,12-13,29H
InChIK	INABZPVIYSSRHZ-UHFFFAOYSA-N
TotalMolweight	455.89
Molweight	455.89
MonoisotopicMass	455.047078
CLogP	5.7323
CLogS	-7.503
H Acceptors	3
H Donors	1
TotalSurfaceArea	324.84
Relative PSA	0.17347
PolarSurfaceArea	76.95
Druglikeness	-8.8192
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile | 2 - (E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Request More Details | (E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments