ChemDiv1_011416

ethyl 5-acetyloxy-6-bromo-2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanylmethyl]-1-methylindole-3-carboxylate

Also Known As: ChemDiv1_011416|Oprea1_747209|HMS619G20|AK-968/11986580|A1848/0077781|SR-01000520869-1|ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate|ethyl 5-(acetyloxy)-6-bromo-2-{[(3-cyano-6-isobutyl-2-pyridinyl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate|ETHYL 5-(ACETYLOXY)-6-BROMO-2-{[(3-CYANO-6-ISOBUTYL-2-PYRIDYL)SULFANYL]METHYL}-1-METHYL-1H-INDOLE-3-CARBOXYLATE|ethyl 5-(acetyloxy)-6-bromo-2-{[(3-cyano-6-isobutylpyridin-2-yl)thio]methyl}-1-methyl-1H-indole-3-carboxylate|ethyl 5-acetoxy-6-bromo-2-(((3-cyano-6-isobutylpyridin-2-yl)thio)methyl)-1-methyl-1H-indole-3-carboxylate|ethyl 5-acetyloxy-6-bromo-2-[[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylmethyl]-1-methylindole-3-carboxylate

Molecular Formula	C25H26BrN3O4S
Molecular Weight	543.08276 g/mol
LogP	5.80028
Topological Polar Surface Area	94.21 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	543.08276
Monoisotopic Mass	543.08276
Heavy Atoms	34
Complexity	1293.7783

Chemical Identifiers

CAS Number	317840-75-8
SMILES	CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C=CC(=N3)CC(C)C)C#N