4-[2-({6-[2-(2-methylpropanamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)acetamido]benzamide
Chemical Structure Depiction of
4-[2-({6-[2-(2-methylpropanamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)acetamido]benzamide
4-[2-({6-[2-(2-methylpropanamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)acetamido]benzamide
Compound characteristics
| Compound ID: | D509-0530 |
| Compound Name: | 4-[2-({6-[2-(2-methylpropanamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)acetamido]benzamide |
| Molecular Weight: | 466.52 |
| Molecular Formula: | C22 H22 N6 O4 S |
| Smiles: | CC(C)C(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1ccc(cc1)C(N)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8685 |
| logD: | 1.7134 |
| logSw: | -2.7928 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 124.669 |
| InChI Key: | ISTKKQZXMUXOBL-UHFFFAOYSA-N |