3-(3-chlorophenyl)-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-(3-chlorophenyl)-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(3-chlorophenyl)-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: | C499-0442 |
| Compound Name: | 3-(3-chlorophenyl)-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: | 427.97 |
| Molecular Formula: | C21 H18 Cl N3 O S2 |
| Smiles: | CSc1ccc(cc1)C1CC(N2CN(CSC2=C1C#N)c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2849 |
| logD: | 5.2849 |
| logSw: | -5.9528 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.775 |
| InChI Key: | RCMKIMBWAQGJRF-GOSISDBHSA-N |