N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | F151-0414 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C24 H25 N5 O5 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCCO2)=O)SC1NC(C(c2ccccc2NC(CC)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5047 |
| logD: | 2.4427 |
| logSw: | -3.1546 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.433 |
| InChI Key: | COCHVWDAJFCWHJ-IBGZPJMESA-N |