8-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
8-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0402 |
| Compound Name: | 8-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCc1c(C)c(c(C)cn1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.351 |
| logD: | 3.3375 |
| logSw: | -3.471 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.294 |
| InChI Key: | MRQLPRXFWBYYFX-UHFFFAOYSA-N |