ethyl 4-[9-cyano-8-(4-hydroxy-3-methoxyphenyl)-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-(4-hydroxy-3-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
ethyl 4-[9-cyano-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | C499-0297 |
| Compound Name: | ethyl 4-[9-cyano-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C24 H23 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(c(c2)OC)O)SC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9874 |
| logD: | 3.9865 |
| logSw: | -3.7941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.707 |
| InChI Key: | ZJARYTZWQDTWGK-GOSISDBHSA-N |