methyl 4-({[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate
methyl 4-({[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | F151-0389 |
| Compound Name: | methyl 4-({[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | CCC(Nc1ccccc1C1C(NC(=NN=1)SCc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8771 |
| logD: | 2.7779 |
| logSw: | -3.5709 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.421 |
| InChI Key: | YOQHNXWTUCJIAE-UHFFFAOYSA-N |