AC1LCGJS
ethyl 6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_018003|Oprea1_292751|HMS638C07|A2272/0095777|SR-01000529959-1|Ethyl 6-bromo-5-methoxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate|ethyl 6-bromo-5-methoxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate|ethyl 6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate|Ethyl 6-bromo-5-methoxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate #|Indole-3-carboxylic acid, 6-bbromo-5-methoxy-1-methyl-2-phenylthiomethyl-, ethyl ester
| Molecular Formula | C20H20BrNO3S |
|---|---|
| Molecular Weight | 433.03473 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.03473 |
| Monoisotopic Mass | 433.03473 |
| Heavy Atoms | 26 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 40963-95-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=CC=CC=C3 |
| InChIKey | ONOSVRGAHFKSPF-UHFFFAOYSA-N |
Product Overview
AC1LCGJS (CAS 40963-95-9), with molecular formula C20H20BrNO3S and molecular weight 433.03473 g/mol. IUPAC: ethyl 6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate.
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