3-(2,4-dimethoxyphenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(2,4-dimethoxyphenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(2,4-dimethoxyphenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0741 |
| Compound Name: | 3-(2,4-dimethoxyphenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C25 H27 N3 O6 S |
| Smiles: | COc1ccc(c(c1)OC)N1CN2C(=C(C#N)C(CC2=O)c2cc(c(c(c2)OC)OC)OC)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7394 |
| logD: | 3.7394 |
| logSw: | -4.1854 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.626 |
| InChI Key: | HUHORMUNKRWPDY-QGZVFWFLSA-N |