N-(3-chloro-4-methoxyphenyl)-4-(4-ethyl-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-chloro-4-methoxyphenyl)-4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-(3-chloro-4-methoxyphenyl)-4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Compound characteristics
| Compound ID: | E596-0346 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 445.93 |
| Molecular Formula: | C20 H20 Cl N5 O3 S |
| Smiles: | CCN1C(c2c(ccs2)n2c(CCCC(Nc3ccc(c(c3)[Cl])OC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7886 |
| logD: | 2.7881 |
| logSw: | -3.5088 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.501 |
| InChI Key: | ZZZMBMIKKZGLSN-UHFFFAOYSA-N |