ethyl 4-[9-cyano-8-(2,4-dimethoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[9-cyano-8-(2,4-dimethoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
ethyl 4-[9-cyano-8-(2,4-dimethoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | C499-0729 |
| Compound Name: | ethyl 4-[9-cyano-8-(2,4-dimethoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C25 H25 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2OC)OC)SC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8633 |
| logD: | 4.8633 |
| logSw: | -4.6329 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.702 |
| InChI Key: | MYGYXIPRVVFNRR-HXUWFJFHSA-N |