5-(4-chlorophenyl)-6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
5-(4-chlorophenyl)-6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
5-(4-chlorophenyl)-6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0207 |
| Compound Name: | 5-(4-chlorophenyl)-6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 393.83 |
| Molecular Formula: | C18 H20 Cl N3 O5 |
| Smiles: | CN1C(c2c(cn(c2c2ccc(cc2)[Cl])C(CO)(CO)CO)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8229 |
| logD: | 0.8229 |
| logSw: | -2.3003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.853 |
| InChI Key: | CUFDAOHXMMSVMZ-UHFFFAOYSA-N |