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1394371-71-1 | MK8722
CAS No: 1394371-71-1 Catalog No: AG01FNPP MDL No:
Product Description
Catalog Number:
AG01FNPP
Chemical Name:
MK8722
CAS Number:
1394371-71-1
Molecular Formula:
C24H20ClN3O4
Molecular Weight:
449.8863
IUPAC Name:
(3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
InChI:
InChI=1S/C24H20ClN3O4/c25-16-10-17-23(28-24(26-17)32-19-12-31-21-18(29)11-30-22(19)21)27-20(16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-10,18-19,21-22,29H,11-12H2,(H,26,27,28)/t18-,19-,21-,22-/m1/s1
InChI Key:
XQMNBTZLYOOAGA-UGESXGAOSA-N
SMILES:
O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1[nH]c2c(n1)nc(c(c2)Cl)c1ccc(cc1)c1ccccc1
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
449.114g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
449.891g/mol
Monoisotopic Mass:
449.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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