3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-fluoro-2-methylphenyl)propanamide
Chemical Structure Depiction of
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-fluoro-2-methylphenyl)propanamide
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-fluoro-2-methylphenyl)propanamide
Compound characteristics
Compound ID: | M107-0436 |
Compound Name: | 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-fluoro-2-methylphenyl)propanamide |
Molecular Weight: | 495.58 |
Molecular Formula: | C25 H26 F N5 O3 S |
Smiles: | Cc1cc(ccc1NC(CCSc1nc2C(N(C)C(N(C)c2n1CCc1ccccc1)=O)=O)=O)F |
Stereo: | ACHIRAL |
logP: | 4.1292 |
logD: | 4.1288 |
logSw: | -4.1837 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.388 |
InChI Key: | JIRJYCYLFKCTPM-UHFFFAOYSA-N |