2-(benzylsulfanyl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
2-(benzylsulfanyl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
Compound ID: | J023-0200 |
Compound Name: | 2-(benzylsulfanyl)-N-(5-chloro-2-methylphenyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
Molecular Weight: | 454.93 |
Molecular Formula: | C22 H19 Cl N4 O3 S |
Smiles: | Cc1ccc(cc1NC(C1CC(NC2=C1C(NC(=N2)SCc1ccccc1)=O)=O)=O)[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 2.2533 |
logD: | 2.2457 |
logSw: | -3.2744 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 80.533 |
InChI Key: | PNQHOZVAGIBOJQ-OAHLLOKOSA-N |