N-(5-fluoro-2-methylphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(5-fluoro-2-methylphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(5-fluoro-2-methylphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0464 |
| Compound Name: | N-(5-fluoro-2-methylphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 456.47 |
| Molecular Formula: | C22 H18 F2 N4 O3 S |
| Smiles: | Cc1ccc(cc1NC(C1CC(NC2=C1C(NC(=N2)SCc1cccc(c1)F)=O)=O)=O)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1182 |
| logD: | 2.1106 |
| logSw: | -2.7494 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.533 |
| InChI Key: | AMCJJVJPJZQKBK-HNNXBMFYSA-N |