4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(4-phenoxyphenyl)butanamide
Chemical Structure Depiction of
4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(4-phenoxyphenyl)butanamide
4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(4-phenoxyphenyl)butanamide
Compound characteristics
| Compound ID: | E596-0701 |
| Compound Name: | 4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(4-phenoxyphenyl)butanamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C26 H25 N5 O3 S |
| Smiles: | CCCN1C(c2c(ccs2)n2c(CCCC(Nc3ccc(cc3)Oc3ccccc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4575 |
| logD: | 4.4575 |
| logSw: | -4.1962 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.872 |
| InChI Key: | ZTUPYTSDIDRPJN-UHFFFAOYSA-N |