1-benzyl-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-5262 |
| Compound Name: | 1-benzyl-7-[2-(4-chlorophenyl)-2-oxoethyl]-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 500.94 |
| Molecular Formula: | C27 H21 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | COc1ccccc1N1C(N(Cc2ccccc2)C(c2c1ncn2CC(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9065 |
| logD: | 3.9065 |
| logSw: | -4.5089 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.851 |
| InChI Key: | BFUMRTNCZWBOOO-UHFFFAOYSA-N |