N-({4-[(3,4-dichlorophenyl)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-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-({4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8104-06079 |
| Compound Name: | N-({4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 490.84 |
| Molecular Formula: | C19 H21 Cl2 N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1ccc(c(c1)OC)OCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3861 |
| logD: | -0.91 |
| logSw: | -3.6973 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.134 |
| InChI Key: | ZTYREVDYYKMVPN-UHFFFAOYSA-N |