7-(2-methylpropyl)-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-(2-methylpropyl)-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-(2-methylpropyl)-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-5511 |
| Compound Name: | 7-(2-methylpropyl)-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C21 H26 N4 O2 |
| Smiles: | CC(C)Cn1cnc2c1C(N(CC=C)C(N2c1ccc(cc1)C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9432 |
| logD: | 3.9432 |
| logSw: | -3.9116 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.796 |
| InChI Key: | BTQHXXKXQSWVAQ-UHFFFAOYSA-N |