5-(2-chlorophenyl)-6-(2-hydroxyethyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
5-(2-chlorophenyl)-6-(2-hydroxyethyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
5-(2-chlorophenyl)-6-(2-hydroxyethyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0294 |
| Compound Name: | 5-(2-chlorophenyl)-6-(2-hydroxyethyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 333.77 |
| Molecular Formula: | C16 H16 Cl N3 O3 |
| Smiles: | CN1C(c2c(cn(CCO)c2c2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7574 |
| logD: | 1.7574 |
| logSw: | -2.6884 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.234 |
| InChI Key: | CSIHLZDHOXYWQR-UHFFFAOYSA-N |