8-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-1002 |
| Compound Name: | 8-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C29 H27 N3 O4 S |
| Smiles: | COc1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(c(c2)OC)OCc2ccccc2)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3261 |
| logD: | 5.3261 |
| logSw: | -5.3929 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.263 |
| InChI Key: | AWGLNGKIQLXXSD-XMMPIXPASA-N |