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69912-95-4 | 3-Thiophenecarboxamide, N-(2-hydroxyethyl)-5-(2-methyl-1-oxopropyl)-2-((1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)azo)-
CAS No: 69912-95-4 Catalog No: AG0065R9 MDL No:
Product Description
Catalog Number:
AG0065R9
Chemical Name:
3-Thiophenecarboxamide, N-(2-hydroxyethyl)-5-(2-methyl-1-oxopropyl)-2-((1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)azo)-
CAS Number:
69912-95-4
Molecular Formula:
C24H32N4O4S
Molecular Weight:
472.6003
IUPAC Name:
N-(2-hydroxyethyl)-2-[[1-(2-hydroxyethyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-5-(2-methylpropanoyl)thiophene-3-carboxamide
InChI:
InChI=1S/C24H32N4O4S/c1-14(2)22(31)21-13-18(23(32)25-7-9-29)24(33-21)27-26-19-12-17-6-5-16(4)28(8-10-30)20(17)11-15(19)3/h11-14,16,29-30H,5-10H2,1-4H3,(H,25,32)
InChI Key:
KQAUNQNGHMDXHS-UHFFFAOYSA-N
SMILES:
OCCNC(=O)c1cc(sc1N=Nc1cc2CCC(N(c2cc1C)CCO)C)C(=O)C(C)C
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.214g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
472.604g/mol
Monoisotopic Mass:
472.214g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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