N-({4-[(6-chloropyridin-3-yl)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-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-({4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D175-0061 |
| Compound Name: | N-({4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 457.38 |
| Molecular Formula: | C18 H21 Cl N6 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1ccc(c(c1)OC)OCc1ccc(nc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.3277 |
| logD: | -2.9683 |
| logSw: | -2.5507 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.138 |
| InChI Key: | ICSTWBSKDRWZOF-UHFFFAOYSA-N |