3-(3-chlorophenyl)-1-ethyl-7-[(3-fluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-ethyl-7-[(3-fluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-1-ethyl-7-[(3-fluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5457 |
| Compound Name: | 3-(3-chlorophenyl)-1-ethyl-7-[(3-fluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 398.82 |
| Molecular Formula: | C20 H16 Cl F N4 O2 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2cccc(c2)F)N(C1=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4414 |
| logD: | 3.4414 |
| logSw: | -3.5734 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.271 |
| InChI Key: | JBFYFGLTAXTCJQ-UHFFFAOYSA-N |