8-[4-(benzyloxy)-3-methoxyphenyl]-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)-3-methoxyphenyl]-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)-3-methoxyphenyl]-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: | C499-1025 |
| Compound Name: | 8-[4-(benzyloxy)-3-methoxyphenyl]-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: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | COc1cc(ccc1OCc1ccccc1)C1CC(N2CN(Cc3ccco3)CSC2=C1C#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3537 |
| logD: | 4.3537 |
| logSw: | -4.5688 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.748 |
| InChI Key: | ZKQFSSGFXLHRKD-JOCHJYFZSA-N |