N-(4-ethylphenyl)-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
N-(4-ethylphenyl)-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Compound characteristics
Compound ID: | E596-0859 |
Compound Name: | N-(4-ethylphenyl)-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide |
Molecular Weight: | 437.56 |
Molecular Formula: | C23 H27 N5 O2 S |
Smiles: | CCc1ccc(cc1)NC(CCCc1nnc2N(CC(C)C)C(c3c(ccs3)n12)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.15 |
logD: | 4.15 |
logSw: | -4.0677 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.146 |
InChI Key: | VNXOSNCZPNMYHP-UHFFFAOYSA-N |