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917957-50-7 | 1-Propanone,3-[6-(1-azetidinylcarbonyl)-4-hydroxy-1,2-dimethyl-1H-benzimidazol-5-yl]-1-(2-methylphenyl)-
CAS No: 917957-50-7 Catalog No: AG006MEJ MDL No:
Product Description
Catalog Number:
AG006MEJ
Chemical Name:
1-Propanone,3-[6-(1-azetidinylcarbonyl)-4-hydroxy-1,2-dimethyl-1H-benzimidazol-5-yl]-1-(2-methylphenyl)-
CAS Number:
917957-50-7
Molecular Formula:
C23H25N3O3
Molecular Weight:
391.4629
IUPAC Name:
3-[6-(azetidine-1-carbonyl)-4-hydroxy-1,2-dimethylbenzimidazol-5-yl]-1-(2-methylphenyl)propan-1-one
InChI:
InChI=1S/C23H25N3O3/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/h4-5,7-8,13,28H,6,9-12H2,1-3H3
InChI Key:
GLZHQPHJTKQRMD-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(c(c1CCC(=O)c1ccccc1C)O)nc(n2C)C)N1CCC1
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.19g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.471g/mol
Monoisotopic Mass:
391.19g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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