2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)butanamide
Chemical Structure Depiction of
2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)butanamide
2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)butanamide
Compound characteristics
| Compound ID: | F151-0142 |
| Compound Name: | 2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)butanamide |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Smiles: | CCC(C(Nc1c(C)cc(C)cc1C)=O)SC1NC(C(c2cc(C)ccc2NC(CC)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.487 |
| logD: | 4.4744 |
| logSw: | -4.205 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.214 |
| InChI Key: | LXQBJDGASMVQOO-FQEVSTJZSA-N |