3-(3-chlorophenyl)-1-ethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-ethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-1-ethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V011-6633 |
| Compound Name: | 3-(3-chlorophenyl)-1-ethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 332.79 |
| Molecular Formula: | C16 H17 Cl N4 O2 |
| Smiles: | CCN1C(c2c(ncn2C(C)C)N(C1=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8971 |
| logD: | 2.8971 |
| logSw: | -3.2132 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.333 |
| InChI Key: | XVFDGRKHMRPTBI-UHFFFAOYSA-N |