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1221721-86-3 | Benzamide, 3-bromo-N-[6-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-, rel-
CAS No: 1221721-86-3 Catalog No: AG0016V7 MDL No:
Product Description
Catalog Number:
AG0016V7
Chemical Name:
Benzamide, 3-bromo-N-[6-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-, rel-
CAS Number:
1221721-86-3
Molecular Formula:
C19H22BrN3O2
Molecular Weight:
404.3009
IUPAC Name:
3-bromo-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methylbenzamide
InChI:
InChI=1S/C19H22BrN3O2/c1-12-10-23(11-13(2)25-12)18-8-7-15(9-21-18)22-19(24)16-5-4-6-17(20)14(16)3/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)/t12-,13+
InChI Key:
NQIQOMSWGCVUMO-BETUJISGSA-N
SMILES:
C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)Br
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
403.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.308g/mol
Monoisotopic Mass:
403.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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