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1270034-25-7 | 4-Thiazolecarboxylic acid, 2-(2,6-difluorophenyl)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 1270034-25-7 Catalog No: AG000WJ3 MDL No:MFCD21607185
Product Description
Catalog Number:
AG000WJ3
Chemical Name:
4-Thiazolecarboxylic acid, 2-(2,6-difluorophenyl)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
1270034-25-7
Molecular Formula:
C15H14F2N2O4S
Molecular Weight:
356.3445
MDL Number:
MFCD21607185
IUPAC Name:
2-(2,6-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C15H14F2N2O4S/c1-15(2,3)23-14(22)19-12-10(13(20)21)18-11(24-12)9-7(16)5-4-6-8(9)17/h4-6H,1-3H3,(H,19,22)(H,20,21)
InChI Key:
UOTJJWYWCUMQPY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1sc(nc1C(=O)O)c1c(F)cccc1F
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.064g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.344g/mol
Monoisotopic Mass:
356.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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