8-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(3,4-dimethoxyphenyl)-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: | C499-0002 |
| Compound Name: | 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C22 H20 F N3 O3 S |
| Smiles: | COc1ccc(cc1OC)C1CC(N2CN(CSC2=C1C#N)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8319 |
| logD: | 3.8319 |
| logSw: | -4.0332 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.035 |
| InChI Key: | OPFLRQXXYMVAQX-QGZVFWFLSA-N |