3-(4-methylphenyl)-1-(propan-2-yl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-methylphenyl)-1-(propan-2-yl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
3-(4-methylphenyl)-1-(propan-2-yl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-6651 |
| Compound Name: | 3-(4-methylphenyl)-1-(propan-2-yl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 326.4 |
| Molecular Formula: | C18 H22 N4 O2 |
| Smiles: | CCCn1cnc2c1C(N(C(C)C)C(N2c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7078 |
| logD: | 2.7078 |
| logSw: | -2.6958 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.517 |
| InChI Key: | JAZOPXZHXOBBAJ-UHFFFAOYSA-N |