(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-benzylindol-3-yl)prop-2-enenitrile

Formula:C25H17N3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-benzylindol-3-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-benzylindol-3-yl)prop-2-enenitrile
MolecularFormula	C25H17N3S2
Smiles	N#C/C(/Sc1nc(cccc2)c2s1)=C\c1cn(Cc2ccccc2)c2c1cccc2
InChI	InChI=1S/C25H17N3S2/c26-15-20(29-25-27-22-11-5-7-13-24(22)30-25)14-19-17-28(16-18-8-2-1-3-9-18)23-12-6-4-10-21(19)23/h1-14,17H,16H2
InChIK	DKMWSIYOCBMBQG-UHFFFAOYSA-N
TotalMolweight	423.563
Molweight	423.563
MonoisotopicMass	423.086387
CLogP	5.9163
CLogS	-6.488
H Acceptors	3
TotalSurfaceArea	323.55
Relative PSA	0.21403
PolarSurfaceArea	95.15
Druglikeness	-1.2603
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-benzylindol-3-yl)prop-2-enenitrile | 2 - (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-benzylindol-3-yl)prop-2-enenitrile

Request More Details | (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-benzylindol-3-yl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments