1-benzyl-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-6047 |
| Compound Name: | 1-benzyl-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C27 H24 N4 O4 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)N1C(N(Cc2ccccc2)C(c2c1ncn2CCOc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2524 |
| logD: | 4.2524 |
| logSw: | -4.3122 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.214 |
| InChI Key: | AUXDDSURUMVYSI-UHFFFAOYSA-N |