N-(4-acetylphenyl)-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}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-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}acetamide
N-(4-acetylphenyl)-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}acetamide
Compound characteristics
| Compound ID: | L397-0644 |
| Compound Name: | N-(4-acetylphenyl)-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}acetamide |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C22 H21 N5 O5 S |
| Smiles: | CC(c1ccc(cc1)NC(CN1C(N2C(=N1)N(CC1CCCO1)C(c1c2ccs1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6122 |
| logD: | 1.6121 |
| logSw: | -2.4432 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.584 |
| InChI Key: | UMKZVWZLOCPCSV-MRXNPFEDSA-N |