3-benzyl-8-[4-(benzyloxy)-3-methoxyphenyl]-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-[4-(benzyloxy)-3-methoxyphenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-benzyl-8-[4-(benzyloxy)-3-methoxyphenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-1061 |
| Compound Name: | 3-benzyl-8-[4-(benzyloxy)-3-methoxyphenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | COc1cc(ccc1OCc1ccccc1)C1CC(N2CN(Cc3ccccc3)CSC2=C1C#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9462 |
| logD: | 4.9462 |
| logSw: | -4.8817 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.999 |
| InChI Key: | LZLBQWNYNRVULB-XMMPIXPASA-N |