N-[(2-chloro-6-fluorophenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(2-chloro-6-fluorophenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-[(2-chloro-6-fluorophenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D660-0037 |
| Compound Name: | N-[(2-chloro-6-fluorophenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 338.23 |
| Molecular Formula: | C11 H13 Cl F N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 1.5872 |
| logD: | -0.5752 |
| logSw: | -2.2555 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.189 |
| InChI Key: | QSUMERMGRCJWCG-UHFFFAOYSA-N |