8-(2-chloro-6-fluorophenyl)-3-(4-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-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0542 |
| Compound Name: | 8-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 417.86 |
| Molecular Formula: | C20 H14 Cl F2 N3 O S |
| Smiles: | C1C(C(C#N)=C2N(CN(CS2)c2ccc(cc2)F)C1=O)c1c(cccc1[Cl])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5825 |
| logD: | 4.5825 |
| logSw: | -4.6498 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.775 |
| InChI Key: | BUIJXJVAQMCVCE-CQSZACIVSA-N |