7-(3,3-dimethyl-2-oxobutyl)-1-[(2-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutyl)-1-[(2-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
7-(3,3-dimethyl-2-oxobutyl)-1-[(2-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-4626F |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutyl)-1-[(2-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C27 H29 F N4 O3 |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(Cc2ccccc2F)C(c2c1ncn2CC(C(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9022 |
| logD: | 4.9022 |
| logSw: | -4.5585 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.793 |
| InChI Key: | CRFSGTUDAKNQLR-UHFFFAOYSA-N |