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7596-09-0 | Benzamide,N-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]-3,5-dinitro-
CAS No: 7596-09-0 Catalog No: AG005GZ7 MDL No:
Product Description
Catalog Number:
AG005GZ7
Chemical Name:
Benzamide,N-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]-3,5-dinitro-
CAS Number:
7596-09-0
Molecular Formula:
C21H20N4O7
Molecular Weight:
440.4061
IUPAC Name:
N-[7-(diethylamino)-4-methyl-2-oxochromen-6-yl]-3,5-dinitrobenzamide
InChI:
InChI=1S/C21H20N4O7/c1-4-23(5-2)18-11-19-16(12(3)6-20(26)32-19)10-17(18)22-21(27)13-7-14(24(28)29)9-15(8-13)25(30)31/h6-11H,4-5H2,1-3H3,(H,22,27)
InChI Key:
GEMNJEVJDBZWPO-UHFFFAOYSA-N
SMILES:
CCN(c1cc2oc(=O)cc(c2cc1NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C)CC
NSC Number:
408161
Properties
Complexity:
764
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.133g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
440.412g/mol
Monoisotopic Mass:
440.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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