N-{6-[3-(2,4-difluoroanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[3-(2,4-difluoroanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
N-{6-[3-(2,4-difluoroanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
Compound characteristics
Compound ID: | F222-0884 |
Compound Name: | N-{6-[3-(2,4-difluoroanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide |
Molecular Weight: | 403.45 |
Molecular Formula: | C20 H19 F2 N3 O2 S |
Smiles: | CC(C)C(Nc1nc2ccc(CCC(Nc3ccc(cc3F)F)=O)cc2s1)=O |
Stereo: | ACHIRAL |
logP: | 4.3793 |
logD: | 4.3407 |
logSw: | -4.2798 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.542 |
InChI Key: | UJHPNIRRLZRZTQ-UHFFFAOYSA-N |