N-(4-methoxyphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
N-(4-methoxyphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | F151-0438 |
| Compound Name: | N-(4-methoxyphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | CCC(Nc1ccccc1C1C(NC(=NN=1)SC(C)C(Nc1ccc(cc1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9974 |
| logD: | 2.9355 |
| logSw: | -3.6745 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.154 |
| InChI Key: | OSCBGRMGQYNOFA-ZDUSSCGKSA-N |