1-benzyl-7-[(4-tert-butylphenyl)methyl]-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-7-[(4-tert-butylphenyl)methyl]-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-7-[(4-tert-butylphenyl)methyl]-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-5228 |
| Compound Name: | 1-benzyl-7-[(4-tert-butylphenyl)methyl]-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C30 H30 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(Cn2cnc3c2C(N(Cc2ccccc2)C(N3c2ccccc2OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6066 |
| logD: | 5.6066 |
| logSw: | -5.4993 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.604 |
| InChI Key: | XKVJDZVRXQAGPE-UHFFFAOYSA-N |