N-({2-[(4-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-({2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-({2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8104-04398 |
| Compound Name: | N-({2-[(4-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)Cc1cccc(c1OCc1ccc(cc1)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.1227 |
| logD: | -1.253 |
| logSw: | -3.5604 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.22 |
| InChI Key: | QSZIUVXVQWVXOB-UHFFFAOYSA-N |