N-({3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-({3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-({3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8104-04855 |
| Compound Name: | N-({3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 488.41 |
| Molecular Formula: | C20 H23 Cl F N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cc(c(c(c1)[Cl])OCc1ccccc1F)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.3823 |
| logD: | -0.5441 |
| logSw: | -3.7139 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.8 |
| InChI Key: | PQLKPHAGHCIWBF-UHFFFAOYSA-N |