4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[4-(propan-2-yl)phenyl]butanamide
Chemical Structure Depiction of
4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[4-(propan-2-yl)phenyl]butanamide
4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[4-(propan-2-yl)phenyl]butanamide
Compound characteristics
| Compound ID: | E596-0311 |
| Compound Name: | 4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[4-(propan-2-yl)phenyl]butanamide |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C24 H29 N5 O3 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CCCc1nnc2N(CCCOC)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5105 |
| logD: | 3.5105 |
| logSw: | -3.8272 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.466 |
| InChI Key: | KTTHMJZRKWZGQU-UHFFFAOYSA-N |