7-benzyl-1-cyclopropyl-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-1-cyclopropyl-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-1-cyclopropyl-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-5043 |
| Compound Name: | 7-benzyl-1-cyclopropyl-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C22 H20 N4 O3 |
| Smiles: | COc1cccc(c1)N1C(N(C2CC2)C(c2c1ncn2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9813 |
| logD: | 2.9813 |
| logSw: | -3.2763 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.371 |
| InChI Key: | VIPHPJCWVAAGIF-UHFFFAOYSA-N |