5-(2-chlorophenyl)-1,3-dimethyl-6-(2-phenylethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
5-(2-chlorophenyl)-1,3-dimethyl-6-(2-phenylethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
5-(2-chlorophenyl)-1,3-dimethyl-6-(2-phenylethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0317 |
| Compound Name: | 5-(2-chlorophenyl)-1,3-dimethyl-6-(2-phenylethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 393.87 |
| Molecular Formula: | C22 H20 Cl N3 O2 |
| Smiles: | CN1C(c2c(cn(CCc3ccccc3)c2c2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2616 |
| logD: | 4.2616 |
| logSw: | -4.7166 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.307 |
| InChI Key: | BNTAUKGWVAXRKC-UHFFFAOYSA-N |