8-(cyclohexylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(cyclohexylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-(cyclohexylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4236-0885 |
| Compound Name: | 8-(cyclohexylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C21 H27 N5 O2 |
| Smiles: | Cc1cccc(Cn2c3C(N(C)C(N(C)c3nc2NC2CCCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.793 |
| logD: | 4.793 |
| logSw: | -4.5739 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.572 |
| InChI Key: | DNWBPKBVPMRGAY-UHFFFAOYSA-N |