8-[4-(methylsulfanyl)phenyl]-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-[4-(methylsulfanyl)phenyl]-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-[4-(methylsulfanyl)phenyl]-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0455 |
| Compound Name: | 8-[4-(methylsulfanyl)phenyl]-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 393.53 |
| Molecular Formula: | C21 H19 N3 O S2 |
| Smiles: | CSc1ccc(cc1)C1CC(N2CN(CSC2=C1C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7012 |
| logD: | 4.7012 |
| logSw: | -4.332 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.775 |
| InChI Key: | PPCJQNDDQCGRRB-GOSISDBHSA-N |