2-{[4-(2-bromo-4-methylphenyl)-5-(1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(2-bromo-4-methylphenyl)-5-(1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[4-(2-bromo-4-methylphenyl)-5-(1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8017-7736 |
| Compound Name: | 2-{[4-(2-bromo-4-methylphenyl)-5-(1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 603.54 |
| Molecular Formula: | C29 H27 Br N6 O2 S |
| Smiles: | CCN1C=C(C(c2ccc(C)nc12)=O)c1nnc(n1c1ccc(C)cc1[Br])SCC(Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3185 |
| logD: | 6.3185 |
| logSw: | -5.4403 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.587 |
| InChI Key: | HSEJVZJVKLTSTE-UHFFFAOYSA-N |