N-[(3-bromophenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-[(3-bromophenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0542 |
| Compound Name: | N-[(3-bromophenyl)methyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 378.72 |
| Molecular Formula: | C12 H16 Br N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)Cc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.8086 |
| logD: | -0.3856 |
| logSw: | -1.9639 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.189 |
| InChI Key: | AZPDBNOIRDDYSP-UHFFFAOYSA-N |