2-({5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-({5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylpropyl)acetamide
2-({5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | Y503-3749 |
| Compound Name: | 2-({5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C18 H28 N6 O2 S |
| Smiles: | CC(C)CNC(CSc1nnc(c2cc(C)n(C)n2)n1CC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0941 |
| logD: | 1.0941 |
| logSw: | -2.0308 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.853 |
| InChI Key: | UPTLVAQOGKWEBT-CQSZACIVSA-N |