N-[(3,4-diethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3,4-diethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-[(3,4-diethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D175-0043 |
| Compound Name: | N-[(3,4-diethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 373.9 |
| Molecular Formula: | C15 H23 N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1ccc(c(c1)OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 0.9693 |
| logD: | -3.3267 |
| logSw: | -2.2503 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.61 |
| InChI Key: | JQWDILUFLGYBLU-UHFFFAOYSA-N |