2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide
2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | Y503-1436 |
| Compound Name: | 2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 336.46 |
| Molecular Formula: | C15 H24 N6 O S |
| Smiles: | CCn1c(c2cc(C)n(C)n2)nnc1SCC(NCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3496 |
| logD: | 1.3491 |
| logSw: | -2.1168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.195 |
| InChI Key: | LDJZXJGPBKXTFO-UHFFFAOYSA-N |