2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-{[2-(trifluoromethyl)phenyl]methyl}ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-{[2-(trifluoromethyl)phenyl]methyl}ethan-1-amine--hydrogen chloride (1/1)
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-{[2-(trifluoromethyl)phenyl]methyl}ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D175-0060 |
| Compound Name: | 2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-{[2-(trifluoromethyl)phenyl]methyl}ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 353.79 |
| Molecular Formula: | C12 H14 F3 N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 1.8789 |
| logD: | -0.2342 |
| logSw: | -2.4324 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.189 |
| InChI Key: | ZWLQNZHLZYEOED-UHFFFAOYSA-N |