N-[(3-bromophenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-[(3-bromophenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8104-04594 |
| Compound Name: | N-[(3-bromophenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 364.69 |
| Molecular Formula: | C11 H14 Br N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.6161 |
| logD: | -1.4945 |
| logSw: | -1.7828 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.189 |
| InChI Key: | ZKQYKKWRBMDMRC-UHFFFAOYSA-N |