8-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0978 |
| Compound Name: | 8-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(3-chlorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 506.8 |
| Molecular Formula: | C21 H17 Br Cl N3 O3 S |
| Smiles: | COc1cc(cc(c1O)[Br])C1CC(N2CN(CSC2=C1C#N)c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5437 |
| logD: | 4.5291 |
| logSw: | -4.5139 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.884 |
| InChI Key: | XOCLTOSJCYTGTA-HNNXBMFYSA-N |