2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-(2-fluoro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-(2-fluoro-4-methylphenyl)acetamide
2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-(2-fluoro-4-methylphenyl)acetamide
Compound characteristics
Compound ID: | C200-8587 |
Compound Name: | 2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-(2-fluoro-4-methylphenyl)acetamide |
Molecular Weight: | 469.51 |
Molecular Formula: | C21 H16 F N5 O3 S2 |
Smiles: | Cc1ccc(c(c1)F)NC(CN1C(N2C(=N1)N(Cc1cccs1)C(c1c2ccs1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6263 |
logD: | 3.6262 |
logSw: | -3.9097 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.424 |
InChI Key: | MKLMDSNFRYRDJN-UHFFFAOYSA-N |