1,3,7-trimethyl-8-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,7-trimethyl-8-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-8-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8009-1135 |
| Compound Name: | 1,3,7-trimethyl-8-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | Cc1ccc2ccccc2c1CSc1nc2c(C(N(C)C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 4.5774 |
| logD: | 4.5772 |
| logSw: | -4.9123 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.825 |
| InChI Key: | ZXNPVTZZQZSAEM-UHFFFAOYSA-N |