N-{3-[bis(2-methylpropyl)amino]propyl}-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-{3-[bis(2-methylpropyl)amino]propyl}-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
| Compound ID: | K788-2110 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
| Molecular Weight: | 547.68 |
| Molecular Formula: | C29 H36 F3 N3 O2 S |
| Smiles: | CC(C)CN(CCCNC(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.3165 |
| logD: | 3.4631 |
| logSw: | -5.5962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.616 |
| InChI Key: | IUQAAMRGDNOGLP-UHFFFAOYSA-N |