N-({5-bromo-2-[(2-fluorophenyl)methoxy]phenyl}methyl)-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-({5-bromo-2-[(2-fluorophenyl)methoxy]phenyl}methyl)-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-({5-bromo-2-[(2-fluorophenyl)methoxy]phenyl}methyl)-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0562 |
| Compound Name: | N-({5-bromo-2-[(2-fluorophenyl)methoxy]phenyl}methyl)-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 502.83 |
| Molecular Formula: | C19 H21 Br F N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)Cc1cc(ccc1OCc1ccccc1F)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5729 |
| logD: | 1.5585 |
| logSw: | -3.7732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.503 |
| InChI Key: | TVGHFPDPQWJAGF-UHFFFAOYSA-N |