3-(3-chloro-2-methylphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(3-chloro-2-methylphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(3-chloro-2-methylphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0273 |
| Compound Name: | 3-(3-chloro-2-methylphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 441.93 |
| Molecular Formula: | C22 H20 Cl N3 O3 S |
| Smiles: | Cc1c(cccc1[Cl])N1CN2C(=C(C#N)C(CC2=O)c2ccc(c(c2)OC)O)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.29 |
| logD: | 4.2891 |
| logSw: | -4.3553 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.652 |
| InChI Key: | QHVQOSHGEAZMOV-OAHLLOKOSA-N |