2-({5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)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-(prop-2-en-1-yl)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-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | Y503-1109 |
| 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-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 410.92 |
| Molecular Formula: | C17 H23 Cl N6 O2 S |
| Smiles: | CCn1cc(c(c2nnc(n2CC2CCCO2)SCC(NCC=C)=O)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.044 |
| logD: | 1.044 |
| logSw: | -2.6482 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.257 |
| InChI Key: | QPOKOPKSIHQWGC-GFCCVEGCSA-N |