2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | 4552-4287 |
| Compound Name: | 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 442.33 |
| Molecular Formula: | C20 H16 Br N3 O2 S |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCC(Nc1ccccc1)=O)c1cccc(c1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5945 |
| logD: | 3.539 |
| logSw: | -3.8914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.065 |
| InChI Key: | AYBYRRAYYVWICM-INIZCTEOSA-N |