N-(5-chloro-2-methoxyphenyl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(5-chloro-2-methoxyphenyl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-3989 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C20 H24 Cl N5 O3 S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCOC)SCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7035 |
| logD: | 2.6999 |
| logSw: | -3.4776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.518 |
| InChI Key: | ZENFGBJBGWIWNK-UHFFFAOYSA-N |