3-benzyl-8-[3-(benzyloxy)phenyl]-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-(benzyloxy)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-benzyl-8-[3-(benzyloxy)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0977 |
| Compound Name: | 3-benzyl-8-[3-(benzyloxy)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C28 H25 N3 O2 S |
| Smiles: | C1C(C(C#N)=C2N(CN(Cc3ccccc3)CS2)C1=O)c1cccc(c1)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1957 |
| logD: | 5.1957 |
| logSw: | -5.4225 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.282 |
| InChI Key: | WOTQZWUUZCDGDX-RUZDIDTESA-N |