3-[(furan-2-yl)methyl]-8-(2-nitrophenyl)-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-(2-nitrophenyl)-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-(2-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0520 |
| Compound Name: | 3-[(furan-2-yl)methyl]-8-(2-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C19 H16 N4 O4 S |
| Smiles: | C1C(C(C#N)=C2N(CN(Cc3ccco3)CS2)C1=O)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0044 |
| logD: | 3.0044 |
| logSw: | -3.4302 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.884 |
| InChI Key: | XTWJAYUAOOAHJK-OAHLLOKOSA-N |