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845791-22-2 | Morpholine, 4-[2-[1-(4-morpholinyl)heptyl]-4-(phenylmethyl)-5-oxazolyl]-
CAS No: 845791-22-2 Catalog No: AG004UEN MDL No:
Product Description
Catalog Number:
AG004UEN
Chemical Name:
Morpholine, 4-[2-[1-(4-morpholinyl)heptyl]-4-(phenylmethyl)-5-oxazolyl]-
CAS Number:
845791-22-2
Molecular Formula:
C25H37N3O3
Molecular Weight:
427.5796
IUPAC Name:
4-[4-benzyl-2-(1-morpholin-4-ylheptyl)-1,3-oxazol-5-yl]morpholine
InChI:
InChI=1S/C25H37N3O3/c1-2-3-4-8-11-23(27-12-16-29-17-13-27)24-26-22(20-21-9-6-5-7-10-21)25(31-24)28-14-18-30-19-15-28/h5-7,9-10,23H,2-4,8,11-20H2,1H3
InChI Key:
WYNBENCQSZOLBM-UHFFFAOYSA-N
SMILES:
CCCCCCC(c1nc(c(o1)N1CCOCC1)Cc1ccccc1)N1CCOCC1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.283g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.589g/mol
Monoisotopic Mass:
427.283g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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