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917956-99-1 | Methanone,1-azetidinyl[4-hydroxy-5-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-1,2-dimethyl-1H-benzimidazol-6-yl]-
CAS No: 917956-99-1 Catalog No: AG006MG4 MDL No:
Product Description
Catalog Number:
AG006MG4
Chemical Name:
Methanone,1-azetidinyl[4-hydroxy-5-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-1,2-dimethyl-1H-benzimidazol-6-yl]-
CAS Number:
917956-99-1
Molecular Formula:
C23H27N3O3
Molecular Weight:
393.4788
IUPAC Name:
azetidin-1-yl-[7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-2,3-dimethylbenzimidazol-5-yl]methanone
InChI:
InChI=1S/C23H27N3O3/c1-14-7-4-5-8-16(14)20(27)10-9-17-18(23(29)26-11-6-12-26)13-19-21(22(17)28)24-15(2)25(19)3/h4-5,7-8,13,20,27-28H,6,9-12H2,1-3H3/t20-/m1/s1
InChI Key:
CSVGDGQEJJYADQ-HXUWFJFHSA-N
SMILES:
O=C(c1cc2c(c(c1CC[C@H](c1ccccc1C)O)O)nc(n2C)C)N1CCC1
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
393.205g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.487g/mol
Monoisotopic Mass:
393.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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