N-({4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-({4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-({4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8104-06080 |
| Compound Name: | N-({4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 456.39 |
| Molecular Formula: | C19 H22 Cl N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1ccc(c(c1)OC)OCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7244 |
| logD: | -1.5716 |
| logSw: | -3.4913 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.134 |
| InChI Key: | XZBYBPMTJIORQF-UHFFFAOYSA-N |