3-(2-fluorophenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(2-fluorophenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(2-fluorophenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0737 |
| Compound Name: | 3-(2-fluorophenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C23 H22 F N3 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N2CN(CSC2=C1C#N)c1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6915 |
| logD: | 3.6915 |
| logSw: | -4.1172 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.452 |
| InChI Key: | UXJGEQJTAYXELL-OAHLLOKOSA-N |