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10076-35-4 | Benzoic acid, 4-[[5-amino-4-[2-(aminocarbonyl)hydrazinylidene]pentyl][(4-methylphenyl)sulfonyl]amino]-, ethyl ester
CAS No: 10076-35-4 Catalog No: AG0002UO MDL No:
Product Description
Catalog Number:
AG0002UO
Chemical Name:
Benzoic acid, 4-[[5-amino-4-[2-(aminocarbonyl)hydrazinylidene]pentyl][(4-methylphenyl)sulfonyl]amino]-, ethyl ester
CAS Number:
10076-35-4
Molecular Formula:
C22H29N5O5S
Molecular Weight:
475.5612
IUPAC Name:
ethyl 4-[[5-amino-4-(carbamoylhydrazinylidene)pentyl]-(4-methylphenyl)sulfonylamino]benzoate
InChI:
InChI=1S/C22H29N5O5S/c1-3-32-21(28)17-8-10-19(11-9-17)27(14-4-5-18(15-23)25-26-22(24)29)33(30,31)20-12-6-16(2)7-13-20/h6-13H,3-5,14-15,23H2,1-2H3,(H3,24,26,29)
InChI Key:
PXDCRDMDFXAQOS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)C)CCCC(=NNC(=O)N)CN
Properties
Complexity:
767
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.189g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
475.564g/mol
Monoisotopic Mass:
475.189g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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