8-[(dibenzylamino)methyl]-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(dibenzylamino)methyl]-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(dibenzylamino)methyl]-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0575 |
| Compound Name: | 8-[(dibenzylamino)methyl]-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C24 H25 N5 O3 |
| Smiles: | CC(Cn1c2C(NC(N(C)c2nc1CN(Cc1ccccc1)Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5008 |
| logD: | 2.4951 |
| logSw: | -2.7553 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.641 |
| InChI Key: | FPOHSUODRJUOCF-UHFFFAOYSA-N |