4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-ethylphenyl)butanamide
Chemical Structure Depiction of
4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-ethylphenyl)butanamide
4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-ethylphenyl)butanamide
Compound characteristics
| Compound ID: | E596-0401 |
| Compound Name: | 4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-ethylphenyl)butanamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | CCc1cccc(c1)NC(CCCc1nnc2N(CC)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0685 |
| logD: | 3.0685 |
| logSw: | -3.5053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.87 |
| InChI Key: | OGYFDJPMQVUZED-UHFFFAOYSA-N |