N-[(3-chloro-4-ethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D660-0419 |
| Compound Name: | N-[(3-chloro-4-ethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 364.29 |
| Molecular Formula: | C13 H18 Cl N5 O S |
| Salt: | HCl |
| Smiles: | CCOc1ccc(CNCCSc2nnnn2C)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.5784 |
| logD: | -0.9025 |
| logSw: | -2.7705 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.399 |
| InChI Key: | ZGYFJFGWFWAGSP-UHFFFAOYSA-N |