N-(3-chlorophenyl)-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-(3-chlorophenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-(3-chlorophenyl)-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: | E596-0019 |
| Compound Name: | N-(3-chlorophenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 401.87 |
| Molecular Formula: | C18 H16 Cl N5 O2 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(Nc3cccc(c3)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4938 |
| logD: | 2.4935 |
| logSw: | -3.4601 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.911 |
| InChI Key: | OSWMMQIUPHUHEG-UHFFFAOYSA-N |