N-(4-bromo-3-methylphenyl)-4-(5-oxo-4-propyl-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-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-(4-bromo-3-methylphenyl)-4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Compound characteristics
| Compound ID: | E596-1095 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 488.4 |
| Molecular Formula: | C21 H22 Br N5 O2 S |
| Smiles: | CCCN1C(c2c(ccs2)n2c(CCCC(Nc3ccc(c(C)c3)[Br])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.942 |
| logD: | 3.9418 |
| logSw: | -3.9475 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.124 |
| InChI Key: | ZYVWFOBGYDNBIR-UHFFFAOYSA-N |