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1246213-24-0 | Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-5-(1,1-dimethylethyl)-2-hydroxy-α,α-dimethyl-
CAS No: 1246213-24-0 Catalog No: AG000MH0 MDL No:
Product Description
Catalog Number:
AG000MH0
Chemical Name:
Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-5-(1,1-dimethylethyl)-2-hydroxy-α,α-dimethyl-
CAS Number:
1246213-24-0
Molecular Formula:
C24H26N2O5
Molecular Weight:
422.4736
IUPAC Name:
2-[5-tert-butyl-2-hydroxy-4-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
InChI:
InChI=1S/C24H26N2O5/c1-23(2,3)15-10-16(24(4,5)22(30)31)19(27)11-18(15)26-21(29)14-12-25-17-9-7-6-8-13(17)20(14)28/h6-12,27H,1-5H3,(H,25,28)(H,26,29)(H,30,31)
InChI Key:
JYPYTFLCNPMVBC-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cc(c(cc1O)NC(=O)c1c[nH]c2c(c1=O)cccc2)C(C)(C)C)(C)C
UNII:
38WUF8D79H
Properties
Complexity:
766
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.184g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
422.481g/mol
Monoisotopic Mass:
422.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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