2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3-fluorophenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3-fluorophenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3-fluorophenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0302 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3-fluorophenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 458.9 |
| Molecular Formula: | C21 H16 Cl F N4 O3 S |
| Smiles: | C1C(C2=C(NC1=O)N=C(NC2=O)SCc1cccc(c1)[Cl])C(Nc1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5839 |
| logD: | 2.5763 |
| logSw: | -3.4108 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.231 |
| InChI Key: | VVODATHAHRWOPX-HNNXBMFYSA-N |