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80032-67-3 | 2-benzo[f]quinolin-3-yl-1H-indene-1,3(2H)-dione, mono[(4-methyl-1H-imidazolyl)methyl] derivative
CAS No: 80032-67-3 Catalog No: AG00GCGY MDL No:
Product Description
Catalog Number:
AG00GCGY
Chemical Name:
2-benzo[f]quinolin-3-yl-1H-indene-1,3(2H)-dione, mono[(4-methyl-1H-imidazolyl)methyl] derivative
CAS Number:
80032-67-3
IUPAC Name:
2-[2-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-9H-benzo[f]quinolin-4-id-3-yl]indene-1,3-dione
InChI:
InChI=1S/C27H20N3O2/c1-15-14-28-23(29-15)13-17-12-21-18-7-3-2-6-16(18)10-11-22(21)30-25(17)24-26(31)19-8-4-5-9-20(19)27(24)32/h2,4-12,14,24H,3,13H2,1H3,(H,28,29)/q-1/p+1
InChI Key:
ADQCUTYFYXNNKB-UHFFFAOYSA-O
EC Number:
279-372-3
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.163g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
419.484g/mol
Monoisotopic Mass:
419.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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