8-[4-(benzyloxy)-3-methoxyphenyl]-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)-3-methoxyphenyl]-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-[4-(benzyloxy)-3-methoxyphenyl]-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: | C499-0992 |
| Compound Name: | 8-[4-(benzyloxy)-3-methoxyphenyl]-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C28 H25 N3 O3 S |
| Smiles: | COc1cc(ccc1OCc1ccccc1)C1CC(N2CN(CSC2=C1C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2222 |
| logD: | 5.2222 |
| logSw: | -5.2053 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.719 |
| InChI Key: | QLSGJUQLIGCBCG-HSZRJFAPSA-N |