(E)-3-(4-bromophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile

Formula:C20H13N2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(4-bromophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile
MolecularFormula	C20H13N2BrS
Smiles	N#C/C(/c1nc(-c2c(CC3)cccc2)c3s1)=C\c(cc1)ccc1Br
InChI	InChI=1S/C20H13BrN2S/c21-16-8-5-13(6-9-16)11-15(12-22)20-23-19-17-4-2-1-3-14(17)7-10-18(19)24-20/h1-6,8-9,11H,7,10H2
InChIK	CUVVRMJYLGCKAC-UHFFFAOYSA-N
TotalMolweight	393.307
Molweight	393.307
MonoisotopicMass	391.998279
CLogP	5.1931
CLogS	-5.933
H Acceptors	2
TotalSurfaceArea	266.55
Relative PSA	0.16841
PolarSurfaceArea	64.92
Druglikeness	-5.1941
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-(4-bromophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile | 2 - (E)-3-(4-bromophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile

Request More Details | (E)-3-(4-bromophenyl)-2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments