(E)-3-(6-bromo-2-chloroquinolin-3-yl)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C21H10N3Br2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(6-bromo-2-chloroquinolin-3-yl)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(6-bromo-2-chloroquinolin-3-yl)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C21H10N3Br2ClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Br)cs1)=C\c(cc(cc(cc1)Br)c1n1)c1Cl
InChI	InChI=1S/C21H10Br2ClN3S/c22-16-3-1-12(2-4-16)19-11-28-21(27-19)15(10-25)8-14-7-13-9-17(23)5-6-18(13)26-20(14)24/h1-9,11H
InChIK	CFRLEZAGFXCLCI-UHFFFAOYSA-N
TotalMolweight	531.658
Molweight	531.658
MonoisotopicMass	528.865066
CLogP	6.3827
CLogS	-7.31
H Acceptors	3
TotalSurfaceArea	319.94
Relative PSA	0.1746
PolarSurfaceArea	77.81
Druglikeness	-3.3918
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - (E)-3-(6-bromo-2-chloroquinolin-3-yl)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-(6-bromo-2-chloroquinolin-3-yl)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Request More Details | (E)-3-(6-bromo-2-chloroquinolin-3-yl)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments