3-[(furan-2-yl)methyl]-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-[(furan-2-yl)methyl]-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0736 |
| Compound Name: | 3-[(furan-2-yl)methyl]-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N2CN(Cc3ccco3)CSC2=C1C#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.88 |
| logD: | 2.88 |
| logSw: | -3.1751 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.781 |
| InChI Key: | QBGJVQHGWZHQEL-MRXNPFEDSA-N |