8-(4-ethylphenyl)-3-(2-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-(4-ethylphenyl)-3-(2-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(4-ethylphenyl)-3-(2-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0197 |
| Compound Name: | 8-(4-ethylphenyl)-3-(2-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C22 H20 F N3 O S |
| Smiles: | CCc1ccc(cc1)C1CC(N2CN(CSC2=C1C#N)c1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8556 |
| logD: | 4.8556 |
| logSw: | -4.4997 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.474 |
| InChI Key: | NTSJQIUNEHOEQJ-QGZVFWFLSA-N |