methyl 4-({[6-(2-benzamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[6-(2-benzamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate
methyl 4-({[6-(2-benzamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | F151-0232 |
| Compound Name: | methyl 4-({[6-(2-benzamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C26 H22 N4 O4 S |
| Smiles: | Cc1ccc(c(c1)C1C(NC(=NN=1)SCc1ccc(cc1)C(=O)OC)=O)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3432 |
| logD: | 4.2622 |
| logSw: | -4.2651 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.363 |
| InChI Key: | ZFLAIMNNGUOPKH-UHFFFAOYSA-N |