N-(4-bromo-2-methylphenyl)-2-(ethylsulfanyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-(ethylsulfanyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(4-bromo-2-methylphenyl)-2-(ethylsulfanyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
Compound ID: | J023-0056 |
Compound Name: | N-(4-bromo-2-methylphenyl)-2-(ethylsulfanyl)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
Molecular Weight: | 437.31 |
Molecular Formula: | C17 H17 Br N4 O3 S |
Smiles: | CCSC1NC(C2C(CC(NC=2N=1)=O)C(Nc1ccc(cc1C)[Br])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.9434 |
logD: | 1.9297 |
logSw: | -2.6885 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 80.805 |
InChI Key: | PEHRUGNQDHZLIS-SNVBAGLBSA-N |