N-({5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-({5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-({5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8104-04657 |
| Compound Name: | N-({5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 505.26 |
| Molecular Formula: | C18 H19 Br Cl N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cc(ccc1OCc1ccc(cc1)[Cl])[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8999 |
| logD: | 0.9706 |
| logSw: | -4.3002 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.503 |
| InChI Key: | HEJSJAJMORBQNZ-UHFFFAOYSA-N |