3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-{[2-(trifluoromethyl)phenyl]methyl}propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-{[2-(trifluoromethyl)phenyl]methyl}propan-1-amine--hydrogen chloride (1/1)
3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-{[2-(trifluoromethyl)phenyl]methyl}propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0433 |
| Compound Name: | 3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-{[2-(trifluoromethyl)phenyl]methyl}propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 429.89 |
| Molecular Formula: | C18 H18 F3 N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1c1ccccc1)Cc1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.6911 |
| logD: | 2.473 |
| logSw: | -4.1386 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.768 |
| InChI Key: | RORGLEXNXHEOHZ-UHFFFAOYSA-N |