ethyl 4-{9-cyano-8-[4-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | C499-0459 |
| Compound Name: | ethyl 4-{9-cyano-8-[4-(methylsulfanyl)phenyl]-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl}benzoate |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C24 H23 N3 O3 S2 |
| Smiles: | CCOC(c1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)SC)SC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4242 |
| logD: | 5.4242 |
| logSw: | -5.404 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.528 |
| InChI Key: | SOABJRWKSTUUMN-HXUWFJFHSA-N |