3-[(furan-2-yl)methyl]-8-(4-hydroxy-3-methoxyphenyl)-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-hydroxy-3-methoxyphenyl)-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-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0277 |
| Compound Name: | 3-[(furan-2-yl)methyl]-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | COc1cc(ccc1O)C1CC(N2CN(Cc3ccco3)CSC2=C1C#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3959 |
| logD: | 2.395 |
| logSw: | -2.59 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.982 |
| InChI Key: | YMEKPEMOUHTNED-OAHLLOKOSA-N |