3-(4-methylphenyl)-1,7-bis(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-methylphenyl)-1,7-bis(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
3-(4-methylphenyl)-1,7-bis(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-6700 |
| Compound Name: | 3-(4-methylphenyl)-1,7-bis(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | CC(C)CN1C(c2c(ncn2CC(C)C)N(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7838 |
| logD: | 3.7838 |
| logSw: | -3.8793 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.818 |
| InChI Key: | YSAHDSQOMQASNT-UHFFFAOYSA-N |