7-[(3-chlorophenyl)methyl]-1-ethyl-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-1-ethyl-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1-ethyl-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0442 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-1-ethyl-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 422.91 |
| Molecular Formula: | C23 H23 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2cccc(c2)[Cl])N(C1=O)c1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6734 |
| logD: | 4.6734 |
| logSw: | -4.9687 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.271 |
| InChI Key: | ZHQCRUIXEYEOMR-UHFFFAOYSA-N |