N-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D660-0023 |
| Compound Name: | N-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 500.84 |
| Molecular Formula: | C19 H22 Br N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cc(c(c(c1)[Br])OCc1ccccc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1471 |
| logD: | -1.1489 |
| logSw: | -3.3815 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.22 |
| InChI Key: | JESXBDZAJJTXBJ-UHFFFAOYSA-N |