methyl 2-{2-[4-(4-chlorophenyl)-2,5-dioxo-3,4,5,7-tetrahydrofuro[3,4-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[4-(4-chlorophenyl)-2,5-dioxo-3,4,5,7-tetrahydrofuro[3,4-d]pyrimidin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[4-(4-chlorophenyl)-2,5-dioxo-3,4,5,7-tetrahydrofuro[3,4-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | S350-0030 |
| Compound Name: | methyl 2-{2-[4-(4-chlorophenyl)-2,5-dioxo-3,4,5,7-tetrahydrofuro[3,4-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 455.85 |
| Molecular Formula: | C22 H18 Cl N3 O6 |
| Smiles: | COC(c1ccccc1NC(CN1C2COC(C=2C(c2ccc(cc2)[Cl])NC1=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6182 |
| logD: | 2.6036 |
| logSw: | -3.7267 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.016 |
| InChI Key: | MWEKZVSLMVVXCT-LJQANCHMSA-N |