3-(4-bromophenyl)-8-(2,3-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(4-bromophenyl)-8-(2,3-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(4-bromophenyl)-8-(2,3-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0588 |
| Compound Name: | 3-(4-bromophenyl)-8-(2,3-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 486.39 |
| Molecular Formula: | C22 H20 Br N3 O3 S |
| Smiles: | COc1cccc(C2CC(N3CN(CSC3=C2C#N)c2ccc(cc2)[Br])=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8764 |
| logD: | 4.8764 |
| logSw: | -4.6161 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.122 |
| InChI Key: | JLGXVBTYJWXZMB-QGZVFWFLSA-N |