2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L397-0702 |
| Compound Name: | 2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C21 H17 N5 O4 S2 |
| Smiles: | CSc1cccc(c1)NC(CN1C(N2C(=N1)N(Cc1ccco1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3417 |
| logD: | 3.3417 |
| logSw: | -3.7542 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.852 |
| InChI Key: | MGALBXZZNXNHRW-UHFFFAOYSA-N |