2-benzylidene-N-[2-(4-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-[2-(4-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-[2-(4-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
Compound ID: | K788-8683 |
Compound Name: | 2-benzylidene-N-[2-(4-chlorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
Molecular Weight: | 543.06 |
Molecular Formula: | C31 H24 Cl F N2 O2 S |
Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O)c1ccc(cc1)[Cl] |
Stereo: | ACHIRAL |
logP: | 6.801 |
logD: | 6.801 |
logSw: | -6.4616 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.324 |
InChI Key: | HZWZKRVCIBMLQD-UHFFFAOYSA-N |