N-[2-(3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
Chemical Structure Depiction of
N-[2-(3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
N-[2-(3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | D509-0501 |
| Compound Name: | N-[2-(3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide |
| Molecular Weight: | 475.93 |
| Molecular Formula: | C21 H19 Cl F N5 O3 S |
| Smiles: | CC(C)C(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1ccc(c(c1)[Cl])F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9528 |
| logD: | 3.7977 |
| logSw: | -4.2605 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.61 |
| InChI Key: | FKCHJBJLJXQHLZ-UHFFFAOYSA-N |