3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-{[2-(trifluoromethyl)phenyl]methyl}propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-{[2-(trifluoromethyl)phenyl]methyl}propan-1-amine--hydrogen chloride (1/1)
3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-{[2-(trifluoromethyl)phenyl]methyl}propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0629 |
| Compound Name: | 3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-{[2-(trifluoromethyl)phenyl]methyl}propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 367.82 |
| Molecular Formula: | C13 H16 F3 N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)Cc1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.0715 |
| logD: | 0.8533 |
| logSw: | -2.5038 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.189 |
| InChI Key: | LSZRWDWASUNLCF-UHFFFAOYSA-N |