8-(azepan-1-yl)-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(azepan-1-yl)-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-(azepan-1-yl)-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0039 |
| Compound Name: | 8-(azepan-1-yl)-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C20 H25 N5 O2 |
| Smiles: | Cc1cccc(Cn2c3C(NC(N(C)c3nc2N2CCCCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2662 |
| logD: | 4.2662 |
| logSw: | -4.2311 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.942 |
| InChI Key: | FDSHHZNRAYXEFD-UHFFFAOYSA-N |