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914397-49-2 | Benzamide, 3-iodo-N-[2-(4-morpholinyl)-4-pyridinyl]-
CAS No: 914397-49-2 Catalog No: AG006AQ0 MDL No:
Product Description
Catalog Number:
AG006AQ0
Chemical Name:
Benzamide, 3-iodo-N-[2-(4-morpholinyl)-4-pyridinyl]-
CAS Number:
914397-49-2
Molecular Formula:
C16H16IN3O2
Molecular Weight:
409.2216
IUPAC Name:
3-iodo-N-(2-morpholin-4-ylpyridin-4-yl)benzamide
InChI:
InChI=1S/C16H16IN3O2/c17-13-3-1-2-12(10-13)16(21)19-14-4-5-18-15(11-14)20-6-8-22-9-7-20/h1-5,10-11H,6-9H2,(H,18,19,21)
InChI Key:
LSQKDAVBSRJWGQ-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)C(=O)Nc1ccnc(c1)N1CCOCC1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.029g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.227g/mol
Monoisotopic Mass:
409.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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