N-(3-methoxypropyl)-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Chemical Structure Depiction of
N-(3-methoxypropyl)-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-(3-methoxypropyl)-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
Compound ID: | C312-1647 |
Compound Name: | N-(3-methoxypropyl)-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
Molecular Weight: | 450.48 |
Molecular Formula: | C22 H21 F3 N2 O3 S |
Smiles: | COCCCNC(CN1C(/C(=C\c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0347 |
logD: | 4.0347 |
logSw: | -4.2023 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.996 |
InChI Key: | HDQWNWVPMGFRAC-UHFFFAOYSA-N |