N-(3-chloro-4-fluorophenyl)-2-{[(2-methylphenyl)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-methylphenyl)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-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
Compound ID: | J023-0224 |
Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
Molecular Weight: | 472.92 |
Molecular Formula: | C22 H18 Cl F N4 O3 S |
Smiles: | Cc1ccccc1CSC1NC(C2C(CC(NC=2N=1)=O)C(Nc1ccc(c(c1)[Cl])F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3054 |
logD: | 3.2917 |
logSw: | -3.5954 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 81.231 |
InChI Key: | KJYWFQZFMXIEDP-CQSZACIVSA-N |