2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0352 |
| Compound Name: | 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C22 H19 F N4 O3 S |
| Smiles: | Cc1ccccc1NC(C1CC(NC2=C1C(NC(=N2)SCc1ccc(cc1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.62 |
| logD: | 1.6124 |
| logSw: | -2.42 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.533 |
| InChI Key: | XTKWAFYZCMSVBJ-HNNXBMFYSA-N |