N-{3-[benzyl(butyl)amino]propyl}-2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Chemical Structure Depiction of
N-{3-[benzyl(butyl)amino]propyl}-2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-{3-[benzyl(butyl)amino]propyl}-2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
| Compound ID: | K788-1392 |
| Compound Name: | N-{3-[benzyl(butyl)amino]propyl}-2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
| Molecular Weight: | 513.7 |
| Molecular Formula: | C31 H35 N3 O2 S |
| Smiles: | CCCCN(CCCNC(CN1C(/C(=C/c2ccccc2)Sc2ccccc12)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.787 |
| logD: | 4.1679 |
| logSw: | -5.3255 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.323 |
| InChI Key: | LLLCHGGJORVNLK-UHFFFAOYSA-N |