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

Formula:C19H9N3Cl3F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C19H9N3Cl3F3S
Smiles	N#C/C(/c1nc(-c(ccc(Cl)c2)c2Cl)cs1)=C\Nc(cc1)cc(C(F)(F)F)c1Cl
InChI	InChI=1S/C19H9Cl3F3N3S/c20-11-1-3-13(16(22)5-11)17-9-29-18(28-17)10(7-26)8-27-12-2-4-15(21)14(6-12)19(23,24)25/h1-6,8-9,27H
InChIK	ZPJPNASPXXMFBU-UHFFFAOYSA-N
TotalMolweight	474.72
Molweight	474.72
MonoisotopicMass	472.953482
CLogP	5.7499
CLogS	-7.369
H Acceptors	3
H Donors	1
TotalSurfaceArea	321.08
Relative PSA	0.1755
PolarSurfaceArea	76.95
Druglikeness	-8.8192
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments