N-(3-chloro-4-fluorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
N-(3-chloro-4-fluorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | F151-0430 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide |
| Molecular Weight: | 489.95 |
| Molecular Formula: | C22 H21 Cl F N5 O3 S |
| Smiles: | CCC(C(Nc1ccc(c(c1)[Cl])F)=O)SC1NC(C(c2ccccc2NC(CC)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2623 |
| logD: | 4.2003 |
| logSw: | -4.4239 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.61 |
| InChI Key: | PEEUAGXPAQHKAB-KRWDZBQOSA-N |