7-benzyl-8-(butylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-(butylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-(butylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0001 |
| Compound Name: | 7-benzyl-8-(butylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C18 H23 N5 O2 |
| Smiles: | CCCCNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6143 |
| logD: | 3.6142 |
| logSw: | -3.6162 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.959 |
| InChI Key: | FEWOUAQRHIMFTH-UHFFFAOYSA-N |