1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-[(prop-2-yn-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-[(prop-2-yn-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione
1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-[(prop-2-yn-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0141 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-[(prop-2-yn-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 358.78 |
| Molecular Formula: | C17 H15 Cl N4 O3 |
| Smiles: | CN1C(N(Cc2ccc(cc2)[Cl])C(c2c1nc(n2C)OCC#C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8658 |
| logD: | 2.8658 |
| logSw: | -3.3851 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.467 |
| InChI Key: | XPUWICOMCFJXFI-UHFFFAOYSA-N |