6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0016 |
| Compound Name: | 6-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 381.82 |
| Molecular Formula: | C20 H16 Cl N3 O3 |
| Smiles: | CN1C(c2c(cn(c3cc(ccc3O)[Cl])c2c2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8186 |
| logD: | 3.8152 |
| logSw: | -4.1744 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.035 |
| InChI Key: | MYJNPSALGSGXRS-UHFFFAOYSA-N |