N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | K821-0117 |
Compound Name: | N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
Molecular Weight: | 594.6 |
Molecular Formula: | C31 H22 N4 O7 S |
Smiles: | CCN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc(cc1)Oc1ccc3C(N(C(c3c1)=O)c1ccc3c(c1)OCO3)=O)=O)s2 |
Stereo: | ACHIRAL |
logP: | 4.6952 |
logD: | 4.694 |
logSw: | -4.6796 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 101.833 |
InChI Key: | YGCSDBHHMZOURM-UHFFFAOYSA-N |