8-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
8-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0253 |
| Compound Name: | 8-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C19 H21 N5 O2 S |
| Smiles: | CC1CCN(CC1)C(CSc1nc2C(NC=Nc2n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9977 |
| logD: | 1.9964 |
| logSw: | -2.3398 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.566 |
| InChI Key: | NFUGFNDECRGWMP-UHFFFAOYSA-N |