N-[2-(3-{[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
Chemical Structure Depiction of
N-[2-(3-{[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
N-[2-(3-{[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | D509-0597 |
| Compound Name: | N-[2-(3-{[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-2-methylpropanamide |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C23 H25 N5 O4 S |
| Smiles: | CC(C)C(Nc1ccccc1C1C(NC(=NN=1)SC(C)C(Nc1ccc(cc1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7583 |
| logD: | 3.6963 |
| logSw: | -4.1178 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.367 |
| InChI Key: | BZDWDILROLJXBD-AWEZNQCLSA-N |