N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(4-chlorophenyl)-2,5-dioxo-3,4,5,7-tetrahydrofuro[3,4-d]pyrimidin-1(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(4-chlorophenyl)-2,5-dioxo-3,4,5,7-tetrahydrofuro[3,4-d]pyrimidin-1(2H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(4-chlorophenyl)-2,5-dioxo-3,4,5,7-tetrahydrofuro[3,4-d]pyrimidin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | S350-0088 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(4-chlorophenyl)-2,5-dioxo-3,4,5,7-tetrahydrofuro[3,4-d]pyrimidin-1(2H)-yl]acetamide |
| Molecular Weight: | 455.85 |
| Molecular Formula: | C22 H18 Cl N3 O6 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C2COC(C=2C(c2ccc(cc2)[Cl])NC1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3845 |
| logD: | 2.3818 |
| logSw: | -3.5459 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.978 |
| InChI Key: | VSVGLQWBLUCGLT-HXUWFJFHSA-N |