N-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-[2-(4-chlorophenyl)ethyl]-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: | E596-0377 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C21 H22 Cl N5 O2 S |
| Smiles: | CCN1C(c2c(ccs2)n2c(CCCC(NCCc3ccc(cc3)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3477 |
| logD: | 2.3477 |
| logSw: | -3.3664 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.034 |
| InChI Key: | GHQBBFWKDDOZNE-UHFFFAOYSA-N |