Home Carboxys 2-[(4-{[(tert-butoxy)carbonyl]amino}phenyl)methyl]-1,3-thiazole-4-carboxylic acid

2-[(4-{[(tert-butoxy)carbonyl]amino}phenyl)methyl]-1,3-thiazole-4-carboxylic acid

CAS No.:
1461708-34-8
Catalog Number:
AG01A6D1
Molecular Formula:
C16H18N2O4S
Molecular Weight:
334.3901
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Product Description
Catalog Number:
AG01A6D1
Chemical Name:
2-[(4-{[(tert-butoxy)carbonyl]amino}phenyl)methyl]-1,3-thiazole-4-carboxylic acid
CAS Number:
1461708-34-8
Molecular Formula:
C16H18N2O4S
Molecular Weight:
334.3901
MDL Number:
MFCD25371792
IUPAC Name:
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C16H18N2O4S/c1-16(2,3)22-15(21)17-11-6-4-10(5-7-11)8-13-18-12(9-23-13)14(19)20/h4-7,9H,8H2,1-3H3,(H,17,21)(H,19,20)
InChI Key:
GLVXYQYIKYHKHG-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Cc1scc(n1)C(=O)O)OC(C)(C)C
Properties
Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.099g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
334.39g/mol
Monoisotopic Mass:
334.099g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties