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-[(3-methoxyphenyl)methyl]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-[(3-methoxyphenyl)methyl]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-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L397-0653 |
| 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-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C22 H23 N5 O5 S |
| Smiles: | COc1cccc(CNC(CN2C(N3C(=N2)N(CC2CCCO2)C(c2c3ccs2)=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7451 |
| logD: | 1.7451 |
| logSw: | -2.5056 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.623 |
| InChI Key: | HZYLNDCZLIAWSF-MRXNPFEDSA-N |