ethyl 5-(acetyloxy)-2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-6-bromo-1-phenyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-6-bromo-1-phenyl-1H-indole-3-carboxylate
ethyl 5-(acetyloxy)-2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-6-bromo-1-phenyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8013-0339 |
| Compound Name: | ethyl 5-(acetyloxy)-2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-6-bromo-1-phenyl-1H-indole-3-carboxylate |
| Molecular Weight: | 564.46 |
| Molecular Formula: | C27 H22 Br N3 O4 S |
| Smiles: | CCOC(c1c2cc(c(cc2n(c2ccccc2)c1CSc1nc2ccccc2[nH]1)[Br])OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6884 |
| logD: | 5.6864 |
| logSw: | -5.547 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.026 |
| InChI Key: | CTAYIMWCRHLTTQ-UHFFFAOYSA-N |