2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
Chemical Structure Depiction of
2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
Compound characteristics
| Compound ID: | F151-0297 |
| Compound Name: | 2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C23 H23 N5 O5 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCCO2)=O)SC1NC(C(c2ccccc2NC(C)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8544 |
| logD: | 1.7925 |
| logSw: | -2.8045 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.546 |
| InChI Key: | NOWHJGGIZRUDHL-IBGZPJMESA-N |