2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | D509-0059 |
| Compound Name: | 2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C24 H27 N5 O3 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1NC(C(c2cc(C)cc(C)c2NC(C)=O)=NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5728 |
| logD: | 3.566 |
| logSw: | -3.7067 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.811 |
| InChI Key: | LRDCCMYBKPUBQP-UHFFFAOYSA-N |