9-methyl-8-({[2-methyl-5-(4-propoxyphenyl)furan-3-yl]methyl}sulfanyl)-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
9-methyl-8-({[2-methyl-5-(4-propoxyphenyl)furan-3-yl]methyl}sulfanyl)-1,9-dihydro-6H-purin-6-one
9-methyl-8-({[2-methyl-5-(4-propoxyphenyl)furan-3-yl]methyl}sulfanyl)-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0234 |
| Compound Name: | 9-methyl-8-({[2-methyl-5-(4-propoxyphenyl)furan-3-yl]methyl}sulfanyl)-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | CCCOc1ccc(cc1)c1cc(CSc2nc3C(NC=Nc3n2C)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.848 |
| logD: | 3.8472 |
| logSw: | -3.8663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.984 |
| InChI Key: | XGEICNUIZGEUAN-UHFFFAOYSA-N |