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131062-31-2 | Benzamide, N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-3-iodo-5,6-dimethoxy-
CAS No: 131062-31-2 Catalog No: AG000VGC MDL No:
Product Description
Catalog Number:
AG000VGC
Chemical Name:
Benzamide, N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-3-iodo-5,6-dimethoxy-
CAS Number:
131062-31-2
Molecular Formula:
C16H23IN2O4
Molecular Weight:
434.2693
IUPAC Name:
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-iodo-5,6-dimethoxybenzamide
InChI:
InChI=1S/C16H23IN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)
InChI Key:
BKJGKGPGPACEQW-UHFFFAOYSA-N
SMILES:
CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)cc(c1OC)OC
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.07g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
434.274g/mol
Monoisotopic Mass:
434.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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