8-(3,4-dimethoxyphenyl)-3-[(furan-2-yl)methyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-(3,4-dimethoxyphenyl)-3-[(furan-2-yl)methyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(3,4-dimethoxyphenyl)-3-[(furan-2-yl)methyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | D006-0068 |
| Compound Name: | 8-(3,4-dimethoxyphenyl)-3-[(furan-2-yl)methyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C1CC(N2CN(Cc3ccco3)CSC2=C1C#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8127 |
| logD: | 2.8127 |
| logSw: | -3.153 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.064 |
| InChI Key: | MYAGWVLRJDSCKY-MRXNPFEDSA-N |