N-(2-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(2-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0261 |
| Compound Name: | N-(2-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-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: | Cc1ccc(CSC2NC(C3C(CC(NC=3N=2)=O)C(Nc2ccccc2F)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9996 |
| logD: | 1.992 |
| logSw: | -2.4478 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.533 |
| InChI Key: | AKWWYLHVPCTPPI-AWEZNQCLSA-N |