N-[(3-ethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
Chemical Structure Depiction of
N-[(3-ethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
N-[(3-ethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
Compound characteristics
| Compound ID: | D660-0110 |
| Compound Name: | N-[(3-ethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine |
| Molecular Weight: | 329.85 |
| Molecular Formula: | C13 H19 N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cccc(c1)OCC |
| Stereo: | ACHIRAL |
| logP: | 1.3479 |
| logD: | -3.2091 |
| logSw: | -2.1622 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.313 |
| InChI Key: | LBVIGGKNGVUACW-UHFFFAOYSA-N |