N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D175-0041 |
| Compound Name: | N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 452.8 |
| Molecular Formula: | C15 H22 Br N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cc(c(c(c1)[Br])OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.306 |
| logD: | -1.99 |
| logSw: | -2.5781 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.696 |
| InChI Key: | DLYIJNCVLVXFAE-UHFFFAOYSA-N |