2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]ethan-1-amine--hydrogen chloride (1/1)
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D175-0057 |
| Compound Name: | 2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 375.88 |
| Molecular Formula: | C14 H21 N5 O3 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1ccc(c(c1OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 0.8915 |
| logD: | -3.4291 |
| logSw: | -1.9386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.254 |
| InChI Key: | SETQCOHZFWGFLD-UHFFFAOYSA-N |