N-{2-[3-(benzylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]-4-methylphenyl}propanamide
Chemical Structure Depiction of
N-{2-[3-(benzylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]-4-methylphenyl}propanamide
N-{2-[3-(benzylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]-4-methylphenyl}propanamide
Compound characteristics
| Compound ID: | F151-0117 |
| Compound Name: | N-{2-[3-(benzylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]-4-methylphenyl}propanamide |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | CCC(Nc1ccc(C)cc1C1C(NC(=NN=1)SCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0373 |
| logD: | 3.0165 |
| logSw: | -3.4306 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.247 |
| InChI Key: | FSEAQVYJORHJGG-UHFFFAOYSA-N |