2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-{[4-(propan-2-yl)phenyl]methyl}ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-{[4-(propan-2-yl)phenyl]methyl}ethan-1-amine--hydrogen chloride (1/1)
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-{[4-(propan-2-yl)phenyl]methyl}ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8104-08225 |
| Compound Name: | 2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-{[4-(propan-2-yl)phenyl]methyl}ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 327.88 |
| Molecular Formula: | C14 H21 N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1ccc(cc1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 2.2014 |
| logD: | -1.4495 |
| logSw: | -2.2513 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.189 |
| InChI Key: | LDRPJLGZPCQILG-UHFFFAOYSA-N |