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81935-47-9 | Glycine, N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(4-methoxyphenyl)sulfonyl]-
CAS No: 81935-47-9 Catalog No: AG0055W3 MDL No:
Product Description
Catalog Number:
AG0055W3
Chemical Name:
Glycine, N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(4-methoxyphenyl)sulfonyl]-
CAS Number:
81935-47-9
Molecular Formula:
C18H19NO7S
Molecular Weight:
393.4110
IUPAC Name:
2-[2-(1,3-benzodioxol-5-yl)ethyl-(4-methoxyphenyl)sulfonylamino]acetic acid
InChI:
InChI=1S/C18H19NO7S/c1-24-14-3-5-15(6-4-14)27(22,23)19(11-18(20)21)9-8-13-2-7-16-17(10-13)26-12-25-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,21)
InChI Key:
MMDLZPJZOIHCPN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)CCc1ccc2c(c1)OCO2
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.088g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.41g/mol
Monoisotopic Mass:
393.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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