2-benzylidene-N-(2-cyanoethyl)-N-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-(2-cyanoethyl)-N-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-(2-cyanoethyl)-N-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-6596 |
| Compound Name: | 2-benzylidene-N-(2-cyanoethyl)-N-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 363.44 |
| Molecular Formula: | C20 H17 N3 O2 S |
| Smiles: | CN(CCC#N)C(c1ccc2c(c1)NC(/C(=C/c1ccccc1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5912 |
| logD: | 2.5912 |
| logSw: | -3.2219 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.737 |
| InChI Key: | BUZYUKYIRUFGSP-UHFFFAOYSA-N |