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52673-14-0 | 1,2,3,6-tetrahydro-2-(3-methoxypropyl)-1,3,6-trioxobenzimidazo[2,1-b]benzo[lmn][3,8]phenanthrolinecarbonitrile
CAS No: 52673-14-0 Catalog No: AG00DH4B MDL No:
Product Description
Catalog Number:
AG00DH4B
Chemical Name:
1,2,3,6-tetrahydro-2-(3-methoxypropyl)-1,3,6-trioxobenzimidazo[2,1-b]benzo[lmn][3,8]phenanthrolinecarbonitrile
CAS Number:
52673-14-0
IUPAC Name:
17-(3-methoxypropyl)-11,16,18-trioxo-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(21),2,4,6,8,12(22),13,15(23),19-nonaene-20-carbonitrile
InChI:
InChI=1S/C25H16N4O4/c1-33-10-4-9-28-23(30)15-8-7-14-20-16(11-13(12-26)19(21(15)20)25(28)32)22-27-17-5-2-3-6-18(17)29(22)24(14)31/h2-3,5-8,11H,4,9-10H2,1H3
InChI Key:
RQILFETZQXVWKX-UHFFFAOYSA-N
EC Number:
258-093-0
Properties
Complexity:
913
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.117g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.427g/mol
Monoisotopic Mass:
436.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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