1-cyclopentyl-7-(3,3-dimethyl-2-oxobutyl)-3-(3-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-cyclopentyl-7-(3,3-dimethyl-2-oxobutyl)-3-(3-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione
1-cyclopentyl-7-(3,3-dimethyl-2-oxobutyl)-3-(3-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-5496 |
| Compound Name: | 1-cyclopentyl-7-(3,3-dimethyl-2-oxobutyl)-3-(3-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C22 H25 F N4 O3 |
| Smiles: | CC(C)(C)C(Cn1cnc2c1C(N(C1CCCC1)C(N2c1cccc(c1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9431 |
| logD: | 2.9431 |
| logSw: | -3.1288 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.381 |
| InChI Key: | HFOINEHWFKNYIL-UHFFFAOYSA-N |