8-[3-(benzyloxy)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-[3-(benzyloxy)phenyl]-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-[3-(benzyloxy)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: | C499-0972 |
| Compound Name: | 8-[3-(benzyloxy)phenyl]-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C27 H23 N3 O2 S |
| Smiles: | C1C(C(C#N)=C2N(CN(CS2)c2ccccc2)C1=O)c1cccc(c1)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4717 |
| logD: | 5.4717 |
| logSw: | -5.8194 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.002 |
| InChI Key: | BXHJICDUVCBLER-XMMPIXPASA-N |