N-(3-bromophenyl)-2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
N-(3-bromophenyl)-2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | 4296-0190 |
Compound Name: | N-(3-bromophenyl)-2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide |
Molecular Weight: | 448.36 |
Molecular Formula: | C18 H14 Br N3 O2 S2 |
Smiles: | C1C(C(C#N)=C(NC1=O)SCC(Nc1cccc(c1)[Br])=O)c1cccs1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4079 |
logD: | 3.3503 |
logSw: | -3.797 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.083 |
InChI Key: | UJTYKNNZLWKKAB-ZDUSSCGKSA-N |