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125558-31-8 | Benzamide, 3-bromo-N-[(2-hydroxy-5-oxo-2-pyrrolidinyl)methyl]-2,6-dimethoxy-
CAS No: 125558-31-8 Catalog No: AG000NVJ MDL No:
Product Description
Catalog Number:
AG000NVJ
Chemical Name:
Benzamide, 3-bromo-N-[(2-hydroxy-5-oxo-2-pyrrolidinyl)methyl]-2,6-dimethoxy-
CAS Number:
125558-31-8
Molecular Formula:
C14H17BrN2O5
Molecular Weight:
373.1992
IUPAC Name:
3-bromo-N-[(2-hydroxy-5-oxopyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide
InChI:
InChI=1S/C14H17BrN2O5/c1-21-9-4-3-8(15)12(22-2)11(9)13(19)16-7-14(20)6-5-10(18)17-14/h3-4,20H,5-7H2,1-2H3,(H,16,19)(H,17,18)
InChI Key:
QCIQHIFWWFPRHS-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C(=O)NCC1(O)CCC(=O)N1)OC)Br
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.032g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
373.203g/mol
Monoisotopic Mass:
372.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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