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

Formula:C18H11N2OBrCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(4-bromophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C18H11N2OBrCl2S
Smiles	O=C(/C=C/c(cc1)ccc1Br)Nc1nc(-c(cc2)cc(Cl)c2Cl)cs1
InChI	InChI=1S/C18H11BrCl2N2OS/c19-13-5-1-11(2-6-13)3-8-17(24)23-18-22-16(10-25-18)12-4-7-14(20)15(21)9-12/h1-10H,(H,22,23,24)
InChIK	KQVGFPYZNFEAOK-UHFFFAOYSA-N
TotalMolweight	454.174
Molweight	454.174
MonoisotopicMass	451.915248
CLogP	6.449
CLogS	-7.315
H Acceptors	3
H Donors	1
TotalSurfaceArea	292.66
Relative PSA	0.19077
PolarSurfaceArea	70.23
Druglikeness	-0.38501
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments