7-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-3896 |
| Compound Name: | 7-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 493.01 |
| Molecular Formula: | C27 H29 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(Cn2cnc3c2C(N(CC2CCCO2)C(N3c2ccc(cc2)[Cl])=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7829 |
| logD: | 4.7829 |
| logSw: | -4.8497 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.929 |
| InChI Key: | IPCAYVYAHCPXAA-JOCHJYFZSA-N |