(E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide

Formula:C18H12N3O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C18H12N3O3ClS
Smiles	[O-][N+](c1ccc(/C=C/C(Nc2nc(-c(cc3)ccc3Cl)cs2)=O)cc1)=O
InChI	InChI=1S/C18H12ClN3O3S/c19-14-6-4-13(5-7-14)16-11-26-18(20-16)21-17(23)10-3-12-1-8-15(9-2-12)22(24)25/h1-11H,(H,20,21,23)
InChIK	FFEOUXIJYSBSRJ-UHFFFAOYSA-N
TotalMolweight	385.83
Molweight	385.83
MonoisotopicMass	385.028789
CLogP	4.1962
CLogS	-6.205
H Acceptors	6
H Donors	1
TotalSurfaceArea	282.28
Relative PSA	0.30555
PolarSurfaceArea	116.05
Druglikeness	-3.6452
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! thiazol-2-ylamine
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide | 2 - (E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide

Request More Details | (E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments