N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-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-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-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: | E596-0077 |
Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
Molecular Weight: | 453.52 |
Molecular Formula: | C22 H23 N5 O4 S |
Smiles: | CC(c1ccc2c(c1)OCCO2)NC(CCCc1nnc2N(C)C(c3c(ccs3)n12)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.0652 |
logD: | 1.0652 |
logSw: | -2.3885 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.22 |
InChI Key: | MHOXYKQPGCKOFR-ZDUSSCGKSA-N |