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-methylbutyl)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-methylbutyl)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-methylbutyl)acetamide
Compound characteristics
Compound ID: | L397-0714 |
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-methylbutyl)acetamide |
Molecular Weight: | 415.47 |
Molecular Formula: | C19 H21 N5 O4 S |
Smiles: | CC(C)CCNC(CN1C(N2C(=N1)N(Cc1ccco1)C(c1c2ccs1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.3261 |
logD: | 2.3261 |
logSw: | -2.7376 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.287 |
InChI Key: | DKUUQMVXXINNEA-UHFFFAOYSA-N |