7-benzyl-3-(4-chlorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-3-(4-chlorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-3-(4-chlorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V016-5095 |
| Compound Name: | 7-benzyl-3-(4-chlorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 436.9 |
| Molecular Formula: | C23 H21 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | C1CC(CN2C(c3c(ncn3Cc3ccccc3)N(C2=O)c2ccc(cc2)[Cl])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9884 |
| logD: | 2.9884 |
| logSw: | -3.2332 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.929 |
| InChI Key: | VITAPIACHXCHNJ-LJQANCHMSA-N |