N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide
N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide
Compound characteristics
Compound ID: | 3820-6692 |
Compound Name: | N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide |
Molecular Weight: | 391.42 |
Molecular Formula: | C21 H14 F N3 O2 S |
Smiles: | c1ccc(c(c1)C(NC(Nc1ccc(cc1)c1nc2ccccc2o1)=S)=O)F |
Stereo: | ACHIRAL |
logP: | 4.9265 |
logD: | 4.9212 |
logSw: | -4.9752 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 50.05 |
InChI Key: | XWZALHBFOSHXIO-UHFFFAOYSA-N |