N-(2-chlorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
N-(2-chlorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | F151-0405 |
| Compound Name: | N-(2-chlorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide |
| Molecular Weight: | 457.94 |
| Molecular Formula: | C21 H20 Cl N5 O3 S |
| Smiles: | CCC(Nc1ccccc1C1C(NC(=NN=1)SC(C)C(Nc1ccccc1[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3644 |
| logD: | 3.3025 |
| logSw: | -3.5677 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.912 |
| InChI Key: | HIMMXHBZMIYKHY-LBPRGKRZSA-N |