N-(3,4-dimethylphenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
N-(3,4-dimethylphenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | J041-0232 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C24 H27 N5 O3 S |
| Smiles: | CCC(Nc1ccc(C)cc1C1C(NC(=NN=1)SC(C)C(Nc1ccc(C)c(C)c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2534 |
| logD: | 4.2409 |
| logSw: | -4.1273 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.61 |
| InChI Key: | OUCIRVRIYKVMEA-INIZCTEOSA-N |