3,8-bis(4-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3,8-bis(4-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3,8-bis(4-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | D006-0282 |
| Compound Name: | 3,8-bis(4-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C24 H25 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)C1CC(N2CN(CSC2=C1C#N)c1ccc(cc1)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8414 |
| logD: | 4.8414 |
| logSw: | -4.4436 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.022 |
| InChI Key: | KSCLAXNEGOXYNB-OAQYLSRUSA-N |