N-(3-ethylphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Chemical Structure Depiction of
N-(3-ethylphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-(3-ethylphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Compound characteristics
Compound ID: | E596-0069 |
Compound Name: | N-(3-ethylphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
Molecular Weight: | 395.48 |
Molecular Formula: | C20 H21 N5 O2 S |
Smiles: | CCc1cccc(c1)NC(CCCc1nnc2N(C)C(c3c(ccs3)n12)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5306 |
logD: | 2.5306 |
logSw: | -2.9628 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.911 |
InChI Key: | VCDBMYTTXFMENP-UHFFFAOYSA-N |