N-(4-bromo-3-methylphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-(4-bromo-3-methylphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Compound characteristics
| Compound ID: | C200-2767 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 460.35 |
| Molecular Formula: | C19 H18 Br N5 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCCc1nnc2N(C)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9148 |
| logD: | 2.9146 |
| logSw: | -3.4506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.911 |
| InChI Key: | IIQNSLQQNOODSO-UHFFFAOYSA-N |