2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | C592-3991 |
Compound Name: | 2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide |
Molecular Weight: | 415.51 |
Molecular Formula: | C20 H25 N5 O3 S |
Smiles: | Cn1cccc1Cc1nnc(n1CCOC)SCC(Nc1ccc(cc1)OC)=O |
Stereo: | ACHIRAL |
logP: | 2.433 |
logD: | 2.433 |
logSw: | -2.7371 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.129 |
InChI Key: | XRLGTXYYCKJXHP-UHFFFAOYSA-N |