7-ethyl-1,3-dimethyl-8-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-ethyl-1,3-dimethyl-8-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
7-ethyl-1,3-dimethyl-8-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-2911 |
| Compound Name: | 7-ethyl-1,3-dimethyl-8-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | CCn1c2C(N(C)C(N(C)c2nc1SCc1c(C)ccc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1919 |
| logD: | 5.1914 |
| logSw: | -5.9569 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.739 |
| InChI Key: | XCBVVVOOOARBME-UHFFFAOYSA-N |