3-benzyl-6-oxo-8-[4-(propan-2-yl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-benzyl-6-oxo-8-[4-(propan-2-yl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-benzyl-6-oxo-8-[4-(propan-2-yl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0619 |
| Compound Name: | 3-benzyl-6-oxo-8-[4-(propan-2-yl)phenyl]-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 403.55 |
| Molecular Formula: | C24 H25 N3 O S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(N2CN(Cc3ccccc3)CSC2=C1C#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0441 |
| logD: | 5.0441 |
| logSw: | -4.5297 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.055 |
| InChI Key: | ZFXQPUIOKNPWBT-OAQYLSRUSA-N |