8-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0944 |
| Compound Name: | 8-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 532.41 |
| Molecular Formula: | C23 H22 Br N3 O5 S |
| Smiles: | COc1ccc(c(c1)OC)N1CN2C(=C(C#N)C(CC2=O)c2cc(c(c(c2)[Br])O)OC)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.951 |
| logD: | 3.9364 |
| logSw: | -4.1072 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.757 |
| InChI Key: | NFVLIKOMXXQQHL-HNNXBMFYSA-N |