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518347-31-4 | Benzamide, N-[(1R)-1-(1H-imidazol-1-ylmethyl)-2-phenoxyethyl]-4-iodo-
CAS No: 518347-31-4 Catalog No: AG01F55C MDL No:
Product Description
Catalog Number:
AG01F55C
Chemical Name:
Benzamide, N-[(1R)-1-(1H-imidazol-1-ylmethyl)-2-phenoxyethyl]-4-iodo-
CAS Number:
518347-31-4
Molecular Formula:
C19H18IN3O2
Molecular Weight:
447.2696
IUPAC Name:
N-[(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl]-4-iodobenzamide
InChI:
InChI=1S/C19H18IN3O2/c20-16-8-6-15(7-9-16)19(24)22-17(12-23-11-10-21-14-23)13-25-18-4-2-1-3-5-18/h1-11,14,17H,12-13H2,(H,22,24)/t17-/m1/s1
InChI Key:
NIVVWANAWIICGU-QGZVFWFLSA-N
SMILES:
Ic1ccc(cc1)C(=O)N[C@H](Cn1cncc1)COc1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
447.044g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.276g/mol
Monoisotopic Mass:
447.044g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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