8-(3-ethoxy-4-hydroxyphenyl)-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-(3-ethoxy-4-hydroxyphenyl)-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(3-ethoxy-4-hydroxyphenyl)-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: | C499-0320 |
| Compound Name: | 8-(3-ethoxy-4-hydroxyphenyl)-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CCOc1cc(ccc1O)C1CC(N2CN(CSC2=C1C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7832 |
| logD: | 3.7827 |
| logSw: | -3.4878 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.533 |
| InChI Key: | DVGVXFMIQPJUFR-QGZVFWFLSA-N |