3-(2-methylphenyl)-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-(2-methylphenyl)-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-(2-methylphenyl)-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: | C499-0609 |
| Compound Name: | 3-(2-methylphenyl)-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(CSC2=C1C#N)c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7071 |
| logD: | 5.7071 |
| logSw: | -5.4218 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.474 |
| InChI Key: | QYQAQWHBVSKYML-HXUWFJFHSA-N |