N-[(3-methoxyphenyl)methyl]-2-({5-oxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-({5-oxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
N-[(3-methoxyphenyl)methyl]-2-({5-oxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F798-0551 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-({5-oxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C22 H19 N5 O3 S3 |
| Smiles: | COc1cccc(CNC(CSc2nnc3N(Cc4cccs4)C(c4c(ccs4)n23)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5425 |
| logD: | 3.5425 |
| logSw: | -3.8873 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.364 |
| InChI Key: | DAEVNTVJEKTEMU-UHFFFAOYSA-N |