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26576-47-6 | Benzoic acid, 4-chloro-2-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]-, methyl ester
CAS No: 26576-47-6 Catalog No: AG002TR6 MDL No:
Product Description
Catalog Number:
AG002TR6
Chemical Name:
Benzoic acid, 4-chloro-2-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]-, methyl ester
CAS Number:
26576-47-6
Molecular Formula:
C19H16ClN5O5
Molecular Weight:
429.8138
IUPAC Name:
methyl 4-chloro-2-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoate
InChI:
InChI=1S/C19H16ClN5O5/c1-9(26)16(25-24-14-7-10(20)3-5-12(14)18(28)30-2)17(27)21-11-4-6-13-15(8-11)23-19(29)22-13/h3-8,16H,1-2H3,(H,21,27)(H2,22,23,29)
InChI Key:
DASUKABWGNNUEB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1N=NC(C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)C(=O)C)Cl
EC Number:
247-821-2
Properties
Complexity:
732
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.084g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
429.817g/mol
Monoisotopic Mass:
429.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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