8-(2-chloro-6-fluorophenyl)-6-oxo-3-[3-(trifluoromethyl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-(2-chloro-6-fluorophenyl)-6-oxo-3-[3-(trifluoromethyl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(2-chloro-6-fluorophenyl)-6-oxo-3-[3-(trifluoromethyl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-1012 |
| Compound Name: | 8-(2-chloro-6-fluorophenyl)-6-oxo-3-[3-(trifluoromethyl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 467.87 |
| Molecular Formula: | C21 H14 Cl F4 N3 O S |
| Smiles: | C1C(C(C#N)=C2N(CN(CS2)c2cccc(c2)C(F)(F)F)C1=O)c1c(cccc1[Cl])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2326 |
| logD: | 5.2326 |
| logSw: | -5.8082 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.775 |
| InChI Key: | OPLHPBSPKBGRCB-CQSZACIVSA-N |