7-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1-(2-methoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1-(2-methoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1-(2-methoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-7609 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1-(2-methoxyethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 463.29 |
| Molecular Formula: | C21 H17 Cl2 F N4 O3 |
| Salt: | not_available |
| Smiles: | COCCN1C(c2c(ncn2Cc2ccc(c(c2)[Cl])[Cl])N(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5729 |
| logD: | 3.5729 |
| logSw: | -3.6554 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.867 |
| InChI Key: | JTDPYQGFSHOSHH-UHFFFAOYSA-N |