N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-5-methyl-4-oxo-3-propyl-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)-5-methyl-4-oxo-3-propyl-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)-5-methyl-4-oxo-3-propyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0241 |
| Compound Name: | N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-5-methyl-4-oxo-3-propyl-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 608.63 |
| Molecular Formula: | C32 H24 N4 O7 S |
| Smiles: | CCCN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc(cc1)Oc1ccc3C(N(C(c3c1)=O)c1ccc3c(c1)OCO3)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.1794 |
| logD: | 5.1782 |
| logSw: | -5.1709 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.087 |
| InChI Key: | ODYHAHIFLSFIOD-UHFFFAOYSA-N |