N-({5-chloro-2-[(4-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-chloro-2-[(4-fluorophenyl)methoxy]phenyl}methyl)-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-({5-chloro-2-[(4-fluorophenyl)methoxy]phenyl}methyl)-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0586 |
| Compound Name: | N-({5-chloro-2-[(4-fluorophenyl)methoxy]phenyl}methyl)-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 458.38 |
| Molecular Formula: | C19 H21 Cl F N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)Cc1cc(ccc1OCc1ccc(cc1)F)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4195 |
| logD: | 1.7692 |
| logSw: | -3.8884 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.503 |
| InChI Key: | PCFAAKWHZFXLIF-UHFFFAOYSA-N |