3-(4-bromophenyl)-8-(4-chlorophenyl)-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-(4-chlorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(4-bromophenyl)-8-(4-chlorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0048 |
| Compound Name: | 3-(4-bromophenyl)-8-(4-chlorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 460.78 |
| Molecular Formula: | C20 H15 Br Cl N3 O S |
| Smiles: | C1C(C(C#N)=C2N(CN(CS2)c2ccc(cc2)[Br])C1=O)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5321 |
| logD: | 5.5321 |
| logSw: | -6.2214 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.775 |
| InChI Key: | LBUNVULVHDEETJ-QGZVFWFLSA-N |