7-(3,3-dimethyl-2-oxobutyl)-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutyl)-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-(3,3-dimethyl-2-oxobutyl)-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V011-6669 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutyl)-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CC=C)C(c2c1ncn2CC(C(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6439 |
| logD: | 3.6439 |
| logSw: | -3.6898 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.043 |
| InChI Key: | QNSAOKZBFSVYMZ-UHFFFAOYSA-N |