N-[(5-bromo-2-ethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
Chemical Structure Depiction of
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
Compound characteristics
| Compound ID: | D175-0033 |
| Compound Name: | N-[(5-bromo-2-ethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine |
| Molecular Weight: | 408.75 |
| Molecular Formula: | C13 H18 Br N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cc(ccc1OCC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1099 |
| logD: | -1.7418 |
| logSw: | -2.7731 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.399 |
| InChI Key: | YEWMGNJKSZTUBG-UHFFFAOYSA-N |