7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[4-(propan-2-yl)phenoxy]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[4-(propan-2-yl)phenoxy]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[4-(propan-2-yl)phenoxy]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-4927 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[4-(propan-2-yl)phenoxy]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 438.91 |
| Molecular Formula: | C23 H23 Cl N4 O3 |
| Smiles: | CC(C)c1ccc(cc1)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9676 |
| logD: | 5.9676 |
| logSw: | -6.4407 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.752 |
| InChI Key: | BTAGVJBPHSQWDV-UHFFFAOYSA-N |