ethyl 6-bromo-2-{[(4-chlorophenyl)sulfanyl]methyl}-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 6-bromo-2-{[(4-chlorophenyl)sulfanyl]methyl}-5-hydroxy-1-methyl-1H-indole-3-carboxylate
ethyl 6-bromo-2-{[(4-chlorophenyl)sulfanyl]methyl}-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 4546-0027 |
| Compound Name: | ethyl 6-bromo-2-{[(4-chlorophenyl)sulfanyl]methyl}-5-hydroxy-1-methyl-1H-indole-3-carboxylate |
| Molecular Weight: | 454.77 |
| Molecular Formula: | C19 H17 Br Cl N O3 S |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSc1ccc(cc1)[Cl])[Br])O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4722 |
| logD: | 5.4435 |
| logSw: | -5.7053 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.061 |
| InChI Key: | ZAVQNYUCEJXYIL-UHFFFAOYSA-N |