2-({5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxy-5-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxy-5-nitrophenyl)acetamide
2-({5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxy-5-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y501-7234 |
| Compound Name: | 2-({5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxy-5-nitrophenyl)acetamide |
| Molecular Weight: | 521.98 |
| Molecular Formula: | C21 H24 Cl N7 O5 S |
| Smiles: | CCn1cc(c(c2nnc(n2CC2CCCO2)SCC(Nc2cc(cc(c2)OC)[N+]([O-])=O)=O)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8619 |
| logD: | 2.8551 |
| logSw: | -3.5273 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.747 |
| InChI Key: | WCKPIEJGNVPAPN-OAHLLOKOSA-N |