N-{3-[butyl(ethyl)amino]propyl}-2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Chemical Structure Depiction of
N-{3-[butyl(ethyl)amino]propyl}-2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
N-{3-[butyl(ethyl)amino]propyl}-2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Compound characteristics
| Compound ID: | C312-0251 |
| Compound Name: | N-{3-[butyl(ethyl)amino]propyl}-2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide |
| Molecular Weight: | 486.08 |
| Molecular Formula: | C26 H32 Cl N3 O2 S |
| Smiles: | CCCCN(CC)CCCNC(CN1C(/C(=C\c2cccc(c2)[Cl])Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1681 |
| logD: | 2.4175 |
| logSw: | -5.3318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.319 |
| InChI Key: | RMZVDHUPGQNWNS-UHFFFAOYSA-N |