8-[(dibenzylamino)methyl]-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(dibenzylamino)methyl]-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(dibenzylamino)methyl]-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0138 |
| Compound Name: | 8-[(dibenzylamino)methyl]-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C25 H29 N5 O2 |
| Smiles: | CC(C)Cn1c2C(NC(N(C)c2nc1CN(Cc1ccccc1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2519 |
| logD: | 4.2369 |
| logSw: | -4.1482 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.306 |
| InChI Key: | QYJGFEHFNKWHED-UHFFFAOYSA-N |