8-[4-(benzyloxy)phenyl]-6-oxo-3-phenyl-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]-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-[4-(benzyloxy)phenyl]-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
Compound ID: | C499-1056 |
Compound Name: | 8-[4-(benzyloxy)phenyl]-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
Molecular Weight: | 453.56 |
Molecular Formula: | C27 H23 N3 O2 S |
Smiles: | C1C(C(C#N)=C2N(CN(CS2)c2ccccc2)C1=O)c1ccc(cc1)OCc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.3963 |
logD: | 5.3963 |
logSw: | -5.6503 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 45.002 |
InChI Key: | KSKNZSGGQPYHKP-XMMPIXPASA-N |