N-{[2-(benzyloxy)phenyl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{[2-(benzyloxy)phenyl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-{[2-(benzyloxy)phenyl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0109 |
| Compound Name: | N-{[2-(benzyloxy)phenyl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 453.99 |
| Molecular Formula: | C23 H23 N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1c1ccccc1)Cc1ccccc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2528 |
| logD: | 1.8833 |
| logSw: | -4.5943 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.082 |
| InChI Key: | QOCQRDWAPRIFHO-UHFFFAOYSA-N |