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53786-06-4 | 1-[1-[2-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl)-2-hydroxy-ethyl]-4-piperidyl]-3H-benzoimidazol-2-one
CAS No: 53786-06-4 Catalog No: AG00DVJW MDL No:
Product Description
Catalog Number:
AG00DVJW
Chemical Name:
1-[1-[2-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl)-2-hydroxy-ethyl]-4-piperidyl]-3H-benzoimidazol-2-one
CAS Number:
53786-06-4
IUPAC Name:
3-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one
InChI:
InChI=1S/C22H25N3O4/c26-18(21-14-28-19-7-3-4-8-20(19)29-21)13-24-11-9-15(10-12-24)25-17-6-2-1-5-16(17)23-22(25)27/h1-8,15,18,21,26H,9-14H2,(H,23,27)
InChI Key:
ZBPOBVZNVTZLGP-UHFFFAOYSA-N
NSC Number:
297937
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.185g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.459g/mol
Monoisotopic Mass:
395.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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