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128600-22-6 | Benzamide, 5-bromo-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-3-methoxy-
CAS No: 128600-22-6 Catalog No: AG000Y8D MDL No:
Product Description
Catalog Number:
AG000Y8D
Chemical Name:
Benzamide, 5-bromo-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-3-methoxy-
CAS Number:
128600-22-6
Molecular Formula:
C15H21BrN2O3
Molecular Weight:
357.2428
IUPAC Name:
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-3-methoxybenzamide
InChI:
InChI=1S/C15H21BrN2O3/c1-3-18-6-4-5-11(18)9-17-15(20)12-7-10(16)8-13(21-2)14(12)19/h7-8,11,19H,3-6,9H2,1-2H3,(H,17,20)/t11-/m0/s1
InChI Key:
UDVCHWOEHQSXMW-NSHDSACASA-N
SMILES:
CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(c1O)OC
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
356.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.248g/mol
Monoisotopic Mass:
356.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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