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832734-91-5 | Pyrimidine, 2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-(4-dibenzofuranyl)-
CAS No: 832734-91-5 Catalog No: AG0056H3 MDL No:
Product Description
Catalog Number:
AG0056H3
Chemical Name:
Pyrimidine, 2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-(4-dibenzofuranyl)-
CAS Number:
832734-91-5
Molecular Formula:
C26H27N3O2
Molecular Weight:
413.5115
IUPAC Name:
2-(1-cyclopentylpiperidin-4-yl)oxy-5-dibenzofuran-4-ylpyrimidine
InChI:
InChI=1S/C26H27N3O2/c1-2-7-19(6-1)29-14-12-20(13-15-29)30-26-27-16-18(17-28-26)21-9-5-10-23-22-8-3-4-11-24(22)31-25(21)23/h3-5,8-11,16-17,19-20H,1-2,6-7,12-15H2
InChI Key:
DIFIDXNEFKGTPZ-UHFFFAOYSA-N
SMILES:
C1CCC(C1)N1CCC(CC1)Oc1ncc(cn1)c1cccc2c1oc1c2cccc1
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.21g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.521g/mol
Monoisotopic Mass:
413.21g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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