1-cyclopentyl-7-(3,3-dimethyl-2-oxobutyl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-cyclopentyl-7-(3,3-dimethyl-2-oxobutyl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
1-cyclopentyl-7-(3,3-dimethyl-2-oxobutyl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-5933 |
| Compound Name: | 1-cyclopentyl-7-(3,3-dimethyl-2-oxobutyl)-3-phenyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C22 H26 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)C(Cn1cnc2c1C(N(C1CCCC1)C(N2c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7461 |
| logD: | 2.7461 |
| logSw: | -2.9386 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.381 |
| InChI Key: | LFBHAGOCMQEIGR-UHFFFAOYSA-N |