2-methyl-N-{2-[5-oxo-3-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide
Chemical Structure Depiction of
2-methyl-N-{2-[5-oxo-3-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide
2-methyl-N-{2-[5-oxo-3-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide
Compound characteristics
| Compound ID: | D509-0559 |
| Compound Name: | 2-methyl-N-{2-[5-oxo-3-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C24 H27 N5 O3 S |
| Smiles: | CC(C)C(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1ccc(cc1)C(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5609 |
| logD: | 4.4057 |
| logSw: | -4.3401 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.61 |
| InChI Key: | BKHIOAOKJSCZHJ-UHFFFAOYSA-N |