3-[(furan-2-yl)methyl]-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-[(furan-2-yl)methyl]-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-[(furan-2-yl)methyl]-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: | C499-0439 |
| Compound Name: | 3-[(furan-2-yl)methyl]-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: | 397.52 |
| Molecular Formula: | C20 H19 N3 O2 S2 |
| Smiles: | CSc1ccc(cc1)C1CC(N2CN(Cc3ccco3)CSC2=C1C#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8327 |
| logD: | 3.8327 |
| logSw: | -3.9195 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.804 |
| InChI Key: | NJMIJGKHJVAHLU-QGZVFWFLSA-N |