8-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(3-chloro-4-methylphenyl)-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-bromo-4-hydroxy-5-methoxyphenyl)-3-(3-chloro-4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(3-chloro-4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0981 |
| Compound Name: | 8-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(3-chloro-4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 520.83 |
| Molecular Formula: | C22 H19 Br Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])N1CN2C(=C(C#N)C(CC2=O)c2cc(c(c(c2)[Br])O)OC)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1591 |
| logD: | 5.1445 |
| logSw: | -5.2668 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.884 |
| InChI Key: | MYEWJAHICZAANA-HNNXBMFYSA-N |