2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | J041-0205 |
| Compound Name: | 2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C20 H18 F N5 O3 S |
| Smiles: | CC(Nc1ccc(C)cc1C1C(NC(=NN=1)SCC(Nc1cccc(c1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2159 |
| logD: | 2.1817 |
| logSw: | -2.9656 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.509 |
| InChI Key: | GPTQVMSZWOEHQC-UHFFFAOYSA-N |