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Home > Nitro Compounds > 79893-23-5
79893-23-5 | N-((1-Ethylpyrrolidin-2-yl)methyl)-5-(ethylsulfonyl)-2-methoxy-4-nitrobenzamide
CAS No: 79893-23-5 Catalog No: AG004ZDY MDL No:
Product Description
Catalog Number:
AG004ZDY
Chemical Name:
N-((1-Ethylpyrrolidin-2-yl)methyl)-5-(ethylsulfonyl)-2-methoxy-4-nitrobenzamide
CAS Number:
79893-23-5
Molecular Formula:
C17H25N3O6S
Molecular Weight:
399.4619
IUPAC Name:
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxy-4-nitrobenzamide
InChI:
InChI=1S/C17H25N3O6S/c1-4-19-8-6-7-12(19)11-18-17(21)13-9-16(27(24,25)5-2)14(20(22)23)10-15(13)26-3/h9-10,12H,4-8,11H2,1-3H3,(H,18,21)
InChI Key:
AHGRUFWMUYBFSG-UHFFFAOYSA-N
SMILES:
CCN1CCCC1CNC(=O)c1cc(c(cc1OC)[N+](=O)[O-])S(=O)(=O)CC
EC Number:
279-337-2
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.146g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.462g/mol
Monoisotopic Mass:
399.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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