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84030-52-4 | 7-(5-Acetamido-2-methoxyphenyl)-10-(methoxycarbonyl)-3-oxo-2,4,10-trioxa-7-azadecane monoacetate
CAS No: 84030-52-4 Catalog No: AG004U7N MDL No:
Product Description
Catalog Number:
AG004U7N
Chemical Name:
7-(5-Acetamido-2-methoxyphenyl)-10-(methoxycarbonyl)-3-oxo-2,4,10-trioxa-7-azadecane monoacetate
CAS Number:
84030-52-4
Molecular Formula:
C19H28N2O10
Molecular Weight:
444.4330
IUPAC Name:
2-[5-acetamido-2-methoxy-N-(2-methoxycarbonyloxyethyl)anilino]ethyl methyl carbonate;acetic acid
InChI:
InChI=1S/C17H24N2O8.C2H4O2/c1-12(20)18-13-5-6-15(23-2)14(11-13)19(7-9-26-16(21)24-3)8-10-27-17(22)25-4;1-2(3)4/h5-6,11H,7-10H2,1-4H3,(H,18,20);1H3,(H,3,4)
InChI Key:
VVMWKRASIUVWJT-UHFFFAOYSA-N
SMILES:
CC(=O)O.COC(=O)OCCN(c1cc(ccc1OC)NC(=O)C)CCOC(=O)OC
EC Number:
281-827-6
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.174g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.437g/mol
Monoisotopic Mass:
444.174g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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