N-[2-(3-{[2-(5-chloro-2-methoxyanilino)-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-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
N-[2-(3-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | D509-0528 |
| Compound Name: | N-[2-(3-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide |
| Molecular Weight: | 487.96 |
| Molecular Formula: | C22 H22 Cl N5 O4 S |
| Smiles: | CC(C)C(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1cc(ccc1OC)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4755 |
| logD: | 3.3204 |
| logSw: | -3.8552 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.543 |
| InChI Key: | MWLVRXVPSKCQLL-UHFFFAOYSA-N |