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7509-73-1 | NSC 408165
CAS No: 7509-73-1 Catalog No: AG003IKR MDL No:
Product Description
Catalog Number:
AG003IKR
Chemical Name:
NSC 408165
CAS Number:
7509-73-1
Molecular Formula:
C21H24N4O3
Molecular Weight:
380.4403
IUPAC Name:
3,5-diamino-N-[7-(diethylamino)-4-methyl-2-oxochromen-6-yl]benzamide
InChI:
InChI=1S/C21H24N4O3/c1-4-25(5-2)18-11-19-16(12(3)6-20(26)28-19)10-17(18)24-21(27)13-7-14(22)9-15(23)8-13/h6-11H,4-5,22-23H2,1-3H3,(H,24,27)
InChI Key:
PUFUTDBGUSUJTA-UHFFFAOYSA-N
SMILES:
CCN(c1cc2oc(=O)cc(c2cc1NC(=O)c1cc(N)cc(c1)N)C)CC
UNII:
GJK9262IDX
NSC Number:
408165
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.185g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
380.448g/mol
Monoisotopic Mass:
380.185g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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