2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F151-0083 |
| Compound Name: | 2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1NC(C(c2cc(C)ccc2NC(C)=O)=NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4315 |
| logD: | 2.3973 |
| logSw: | -2.9684 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.633 |
| InChI Key: | PKPQEGLAIOWHBT-UHFFFAOYSA-N |