N-(2-fluoro-5-methylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-(2-fluoro-5-methylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-(2-fluoro-5-methylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0334 |
| Compound Name: | N-(2-fluoro-5-methylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C18 H20 F N5 O3 S |
| Smiles: | Cc1ccc(c(c1)NC(CCSc1nc2C(N(C)C(N(C)c2n1C)=O)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 2.4683 |
| logD: | 2.4681 |
| logSw: | -2.9539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.491 |
| InChI Key: | OCYITPVLLLSVQM-UHFFFAOYSA-N |