8-[4-(benzyloxy)phenyl]-3-[(furan-2-yl)methyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-[4-(benzyloxy)phenyl]-3-[(furan-2-yl)methyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-[4-(benzyloxy)phenyl]-3-[(furan-2-yl)methyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-1060 |
| Compound Name: | 8-[4-(benzyloxy)phenyl]-3-[(furan-2-yl)methyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C26 H23 N3 O3 S |
| Smiles: | C1C(C(C#N)=C2N(CN(Cc3ccco3)CS2)C1=O)c1ccc(cc1)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5277 |
| logD: | 4.5277 |
| logSw: | -4.5378 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.031 |
| InChI Key: | VSZIQDDCVSISRD-HSZRJFAPSA-N |