N-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8104-04321 |
| Compound Name: | N-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 421.95 |
| Molecular Formula: | C19 H23 N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1ccc(c(c1)OC)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.019 |
| logD: | -2.277 |
| logSw: | -2.5427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.134 |
| InChI Key: | BTFCDUSMEHOHDM-UHFFFAOYSA-N |