7-butyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-butyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0049 |
| Compound Name: | 7-butyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C26 H31 N5 O2 |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1CN(Cc1ccccc1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6501 |
| logD: | 4.6481 |
| logSw: | -4.1228 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.371 |
| InChI Key: | WPAUMXYAVOBWIU-UHFFFAOYSA-N |