Home Carboxys 5-[(tert-butoxy)carbonyl]-4H,5H,6H,7H,8H-thieno[3,2-c]azepine-2-carboxylic acid

5-[(tert-butoxy)carbonyl]-4H,5H,6H,7H,8H-thieno[3,2-c]azepine-2-carboxylic acid

CAS No.:
165947-53-5
Catalog Number:
AG01EKCL
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
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Product Description
Catalog Number:
AG01EKCL
Chemical Name:
5-[(tert-butoxy)carbonyl]-4H,5H,6H,7H,8H-thieno[3,2-c]azepine-2-carboxylic acid
CAS Number:
165947-53-5
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
MDL Number:
MFCD18792272
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine-2-carboxylic acid
InChI:
InChI=1S/C14H19NO4S/c1-14(2,3)19-13(18)15-6-4-5-10-9(8-15)7-11(20-10)12(16)17/h7H,4-6,8H2,1-3H3,(H,16,17)
InChI Key:
KQTGEVZDEWBXMN-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c(C1)cc(s2)C(=O)O)OC(C)(C)C
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.103g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
297.369g/mol
Monoisotopic Mass:
297.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties