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102601-21-8 | Benzamide, N-[4-[(aminoiminomethyl)amino]-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]butyl]-, hydrochloride (1:1)
CAS No: 102601-21-8 Catalog No: AG0007VR MDL No:
Product Description
Catalog Number:
AG0007VR
Chemical Name:
Benzamide, N-[4-[(aminoiminomethyl)amino]-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]butyl]-, hydrochloride (1:1)
CAS Number:
102601-21-8
Molecular Formula:
C23H26ClN5O4
Molecular Weight:
471.9366
IUPAC Name:
N-[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride
InChI:
InChI=1S/C23H25N5O4.ClH/c1-14-12-20(29)32-19-13-16(9-10-17(14)19)27-22(31)18(8-5-11-26-23(24)25)28-21(30)15-6-3-2-4-7-15;/h2-4,6-7,9-10,12-13,18H,5,8,11H2,1H3,(H,27,31)(H,28,30)(H4,24,25,26);1H
InChI Key:
XKAVYOJOHZLTDF-UHFFFAOYSA-N
SMILES:
NN=CNCCCC(C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)c1ccccc1.Cl
Properties
Complexity:
756
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.167g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
471.942g/mol
Monoisotopic Mass:
471.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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