N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-3-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0489 |
| Compound Name: | N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 691.12 |
| Molecular Formula: | C36 H23 Cl N4 O7 S |
| Smiles: | Cc1c2C(N(Cc3ccccc3[Cl])C=Nc2sc1C(Nc1ccc(cc1)Oc1ccc2C(N(C(c2c1)=O)c1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5586 |
| logD: | 6.5574 |
| logSw: | -6.197 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.837 |
| InChI Key: | VJZJPZAWGYXSFP-UHFFFAOYSA-N |