3-cyclohexyl-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-cyclohexyl-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-cyclohexyl-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0448 |
| Compound Name: | 3-cyclohexyl-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 399.58 |
| Molecular Formula: | C21 H25 N3 O S2 |
| Smiles: | CSc1ccc(cc1)C1CC(N2CN(CSC2=C1C#N)C1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6818 |
| logD: | 4.6814 |
| logSw: | -4.2514 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.608 |
| InChI Key: | UIOJNEZJLPDXKH-GOSISDBHSA-N |