7-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1450 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 515.01 |
| Molecular Formula: | C29 H27 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CCOc2ccccc2)C(c2c1ncn2Cc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0179 |
| logD: | 6.0179 |
| logSw: | -6.1246 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.671 |
| InChI Key: | YFFMXTLQXDMCIC-UHFFFAOYSA-N |