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79044-55-6 | 1H-Pyrazole-3-carboxylicacid,4,5-dihydro-5-oxo-1-phenyl-4-[2-[4-[[(tetrahydro-2-furanyl)methoxy]carbonyl]phenyl]diazenyl]-,ethyl ester
CAS No: 79044-55-6 Catalog No: AG005CCZ MDL No:
Product Description
Catalog Number:
AG005CCZ
Chemical Name:
1H-Pyrazole-3-carboxylicacid,4,5-dihydro-5-oxo-1-phenyl-4-[2-[4-[[(tetrahydro-2-furanyl)methoxy]carbonyl]phenyl]diazenyl]-,ethyl ester
CAS Number:
79044-55-6
Molecular Formula:
C24H24N4O6
Molecular Weight:
464.4706
IUPAC Name:
ethyl 5-oxo-4-[[4-(oxolan-2-ylmethoxycarbonyl)phenyl]diazenyl]-1-phenyl-4H-pyrazole-3-carboxylate
InChI:
InChI=1S/C24H24N4O6/c1-2-32-24(31)21-20(22(29)28(27-21)18-7-4-3-5-8-18)26-25-17-12-10-16(11-13-17)23(30)34-15-19-9-6-14-33-19/h3-5,7-8,10-13,19-20H,2,6,9,14-15H2,1H3
InChI Key:
BJTYTOCUTGTXKZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=NN(C(=O)C1N=Nc1ccc(cc1)C(=O)OCC1CCCO1)c1ccccc1
EC Number:
279-043-4
Properties
Complexity:
801
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.17g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.478g/mol
Monoisotopic Mass:
464.17g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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