3-benzyl-8-(2,5-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-benzyl-8-(2,5-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-benzyl-8-(2,5-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0268 |
| Compound Name: | 3-benzyl-8-(2,5-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | COc1ccc(c(c1)C1CC(N2CN(Cc3ccccc3)CSC2=C1C#N)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9588 |
| logD: | 3.9588 |
| logSw: | -4.1546 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.229 |
| InChI Key: | QUBJEKQPZVIAGM-GOSISDBHSA-N |