3-(4-bromophenyl)-6-oxo-8-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(4-bromophenyl)-6-oxo-8-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(4-bromophenyl)-6-oxo-8-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0426 |
| Compound Name: | 3-(4-bromophenyl)-6-oxo-8-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 426.33 |
| Molecular Formula: | C20 H16 Br N3 O S |
| Smiles: | C1C(C(C#N)=C2N(CN(CS2)c2ccc(cc2)[Br])C1=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9417 |
| logD: | 4.9417 |
| logSw: | -4.7799 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.775 |
| InChI Key: | XIIDJZIJUIDUGW-QGZVFWFLSA-N |