N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0103 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 407.92 |
| Molecular Formula: | C18 H21 N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1c1ccccc1)Cc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0977 |
| logD: | -1.6372 |
| logSw: | -2.5776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.029 |
| InChI Key: | WFYCFKCKGLIRRU-UHFFFAOYSA-N |