N-(3,4-difluorophenyl)-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-(3,4-difluorophenyl)-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-(3,4-difluorophenyl)-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: | F798-0533 |
| Compound Name: | N-(3,4-difluorophenyl)-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: | 489.54 |
| Molecular Formula: | C20 H13 F2 N5 O2 S3 |
| Smiles: | C(c1cccs1)N1C(c2c(ccs2)n2c1nnc2SCC(Nc1ccc(c(c1)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1206 |
| logD: | 4.1139 |
| logSw: | -4.3001 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.498 |
| InChI Key: | VLWQAEKKIWUQFF-UHFFFAOYSA-N |