2-methyl-N-[2-(3-{[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Chemical Structure Depiction of
2-methyl-N-[2-(3-{[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
2-methyl-N-[2-(3-{[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | D509-0594 |
| Compound Name: | 2-methyl-N-[2-(3-{[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | CC(C)C(Nc1ccccc1C1C(NC(=NN=1)SC(C)C(Nc1ccccc1C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8693 |
| logD: | 3.8074 |
| logSw: | -4.0224 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.126 |
| InChI Key: | KCDGYVAJQBJTNP-HNNXBMFYSA-N |