N-{[4-(methylsulfanyl)phenyl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D215-0162 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 393.96 |
| Molecular Formula: | C17 H19 N5 S2 |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1c1ccccc1)Cc1ccc(cc1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.2021 |
| logD: | 0.9846 |
| logSw: | -3.182 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.768 |
| InChI Key: | MGTUEOHOBMTOJT-UHFFFAOYSA-N |