N-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
Chemical Structure Depiction of
N-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
N-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
Compound characteristics
| Compound ID: | 8104-04803 |
| Compound Name: | N-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine |
| Molecular Weight: | 470.42 |
| Molecular Formula: | C20 H24 Cl N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cc(c(c(c1)[Cl])OCc1ccccc1)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.3072 |
| logD: | -0.6192 |
| logSw: | -3.6028 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.8 |
| InChI Key: | XNDHTLIGZYIKLK-UHFFFAOYSA-N |