1-benzyl-7-[(3-chlorophenyl)methyl]-3-(3-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-7-[(3-chlorophenyl)methyl]-3-(3-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-7-[(3-chlorophenyl)methyl]-3-(3-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-7507 |
| Compound Name: | 1-benzyl-7-[(3-chlorophenyl)methyl]-3-(3-fluorophenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 460.89 |
| Molecular Formula: | C25 H18 Cl F N4 O2 |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)N1C(c2c(ncn2Cc2cccc(c2)[Cl])N(C1=O)c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6837 |
| logD: | 4.6837 |
| logSw: | -4.9096 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.275 |
| InChI Key: | IPTISHJJNDTZRR-UHFFFAOYSA-N |