N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Compound characteristics
| Compound ID: | E596-0866 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C25 H29 N5 O4 S |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCCC(NC(C)c3ccc4c(c3)OCCO4)=O)nnc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5443 |
| logD: | 2.5443 |
| logSw: | -2.9995 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.454 |
| InChI Key: | BKYLBEKFUVJTEV-INIZCTEOSA-N |