4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[4-(propan-2-yl)phenyl]butanamide
Chemical Structure Depiction of
4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[4-(propan-2-yl)phenyl]butanamide
4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[4-(propan-2-yl)phenyl]butanamide
Compound characteristics
Compound ID: | E596-0075 |
Compound Name: | 4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[4-(propan-2-yl)phenyl]butanamide |
Molecular Weight: | 409.51 |
Molecular Formula: | C21 H23 N5 O2 S |
Smiles: | CC(C)c1ccc(cc1)NC(CCCc1nnc2N(C)C(c3c(ccs3)n12)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0784 |
logD: | 3.0784 |
logSw: | -3.6119 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.911 |
InChI Key: | WKLRGDDKEQNZSF-UHFFFAOYSA-N |