N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-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-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(5-oxo-4-propyl-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-(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: | E596-0753 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C24 H27 N5 O4 S |
| Smiles: | CCCN1C(c2c(ccs2)n2c(CCCC(NC(C)c3ccc4c(c3)OCCO4)=O)nnc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0924 |
| logD: | 2.0924 |
| logSw: | -2.8816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.432 |
| InChI Key: | BEYFDSDCLMAHBW-HNNXBMFYSA-N |