ethyl 5-(acetyloxy)-6-bromo-1-methyl-2-{[(4-methylphenyl)sulfanyl]methyl}-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-6-bromo-1-methyl-2-{[(4-methylphenyl)sulfanyl]methyl}-1H-indole-3-carboxylate
ethyl 5-(acetyloxy)-6-bromo-1-methyl-2-{[(4-methylphenyl)sulfanyl]methyl}-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8004-2674 |
| Compound Name: | ethyl 5-(acetyloxy)-6-bromo-1-methyl-2-{[(4-methylphenyl)sulfanyl]methyl}-1H-indole-3-carboxylate |
| Molecular Weight: | 476.39 |
| Molecular Formula: | C22 H22 Br N O4 S |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSc1ccc(C)cc1)[Br])OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3142 |
| logD: | 5.3142 |
| logSw: | -5.4224 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.351 |
| InChI Key: | NTBRBRYSWHMBTI-UHFFFAOYSA-N |