ethyl 2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
ethyl 2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8014-7213 |
| Compound Name: | ethyl 2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate |
| Molecular Weight: | 474.37 |
| Molecular Formula: | C21 H20 Br N3 O3 S |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSc1nc2ccccc2[nH]1)[Br])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5937 |
| logD: | 4.5549 |
| logSw: | -4.4451 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.157 |
| InChI Key: | OYYYAHKFZPKNKN-UHFFFAOYSA-N |