N-(3-chloro-4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(3-chloro-4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0344 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 476.89 |
| Molecular Formula: | C21 H15 Cl F2 N4 O3 S |
| Smiles: | C1C(C2=C(NC1=O)N=C(NC2=O)SCc1ccccc1F)C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7919 |
| logD: | 2.7781 |
| logSw: | -3.4805 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.231 |
| InChI Key: | QTQFUUQTZZTDIB-GFCCVEGCSA-N |