3-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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: | C499-0596 |
| Compound Name: | 3-(4-fluorophenyl)-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: | 407.51 |
| Molecular Formula: | C23 H22 F N3 O S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(N2CN(CSC2=C1C#N)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4707 |
| logD: | 5.4707 |
| logSw: | -5.3543 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.775 |
| InChI Key: | VFJCRHYGGJXIJV-HXUWFJFHSA-N |