2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-(2-ethyl-6-methylphenyl)acetamide
Chemical Structure Depiction of
2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-(2-ethyl-6-methylphenyl)acetamide
2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-(2-ethyl-6-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L397-0651 |
| Compound Name: | 2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-(2-ethyl-6-methylphenyl)acetamide |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C23 H25 N5 O4 S |
| Smiles: | CCc1cccc(C)c1NC(CN1C(N2C(=N1)N(CC1CCCO1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7388 |
| logD: | 2.7387 |
| logSw: | -2.8142 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.362 |
| InChI Key: | KSQCRDSYTDFYFG-MRXNPFEDSA-N |