AC1LD3GS

methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate

Also Known As: NCGC00020470-02|AG-389/15452436|methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate|2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester|(S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)propanoate|methyl 2-(acetylamino)-3,3,3-trifluoro-2-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}propanoate|methyl 2-(acetylamino)-3,3,3-trifluoro-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]alaninate

Molecular Formula	C14H14F3N3O5S2
Molecular Weight	425.03268 g/mol
LogP	2.8
Topological Polar Surface Area	151.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	6
Exact Mass	425.03268
Monoisotopic Mass	425.03268
Heavy Atoms	27
Complexity	697.0

Chemical Identifiers

CAS Number	489403-75-0
SMILES	CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C
InChIKey	HWCLMJPDYGVVLV-UHFFFAOYSA-N