3-benzyl-8-(3-methoxyphenyl)-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-(3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-benzyl-8-(3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0673 |
| Compound Name: | 3-benzyl-8-(3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Smiles: | COc1cccc(c1)C1CC(N2CN(Cc3ccccc3)CSC2=C1C#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7629 |
| logD: | 3.7628 |
| logSw: | -4.0767 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.598 |
| InChI Key: | GTBHMKZWRGIYAA-LJQANCHMSA-N |