N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0215 |
| Compound Name: | N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 456.39 |
| Molecular Formula: | C19 H22 Cl N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1c1ccccc1)Cc1cc(c(c(c1)[Cl])OCC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5358 |
| logD: | 0.1705 |
| logSw: | -3.8473 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.695 |
| InChI Key: | FFAJMZJEFNCYOY-UHFFFAOYSA-N |