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88467-01-0 | 5-Pyrimidinol, 2,4-bis(4-morpholinylmethyl)-6-phenyl-, 3-oxide
CAS No: 88467-01-0 Catalog No: AG004C8D MDL No:
Product Description
Catalog Number:
AG004C8D
Chemical Name:
5-Pyrimidinol, 2,4-bis(4-morpholinylmethyl)-6-phenyl-, 3-oxide
CAS Number:
88467-01-0
Molecular Formula:
C20H26N4O4
Molecular Weight:
386.4448
IUPAC Name:
2,6-bis(morpholin-4-ylmethyl)-1-oxido-4-phenylpyrimidin-1-ium-5-ol
InChI:
InChI=1S/C20H26N4O4/c25-20-17(14-22-6-10-27-11-7-22)24(26)18(15-23-8-12-28-13-9-23)21-19(20)16-4-2-1-3-5-16/h1-5,25H,6-15H2
InChI Key:
BBCQNOVOIVXWBM-UHFFFAOYSA-N
SMILES:
Oc1c(nc([n+](c1CN1CCOCC1)[O-])CN1CCOCC1)c1ccccc1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.195g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.452g/mol
Monoisotopic Mass:
386.195g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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