N-{[3-(benzyloxy)phenyl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{[3-(benzyloxy)phenyl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-{[3-(benzyloxy)phenyl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0546 |
| Compound Name: | N-{[3-(benzyloxy)phenyl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 405.95 |
| Molecular Formula: | C19 H23 N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)Cc1cccc(c1)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5859 |
| logD: | -1.0525 |
| logSw: | -2.8961 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.417 |
| InChI Key: | NWEDWOABKQWTDU-UHFFFAOYSA-N |