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93904-40-6 | 8-(1H-Benzimidazol-2-yl)-2-methyl-1H-benzimidazo(1,2-a)isoquino(5,4-fg)quinoline-1,3(2H)-dione
CAS No: 93904-40-6 Catalog No: AG005YIK MDL No:
Product Description
Catalog Number:
AG005YIK
Chemical Name:
8-(1H-Benzimidazol-2-yl)-2-methyl-1H-benzimidazo(1,2-a)isoquino(5,4-fg)quinoline-1,3(2H)-dione
CAS Number:
93904-40-6
Molecular Formula:
C29H17N5O2
Molecular Weight:
467.4776
IUPAC Name:
4-(1H-benzimidazol-2-yl)-18-methyl-6,13,18-triazahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(24),2(14),3,5,7,9,11,15,20,22-decaene-17,19-dione
InChI:
InChI=1S/C29H17N5O2/c1-33-28(35)16-8-6-7-15-17-13-19(26-30-20-9-2-3-10-21(20)31-26)27-32-22-11-4-5-12-23(22)34(27)24(17)14-18(25(15)16)29(33)36/h2-14H,1H3,(H,30,31)
InChI Key:
YLANRMOGWMCRLK-UHFFFAOYSA-N
SMILES:
Cn1c(=O)c2cc3c(c4c2c(c1=O)ccc4)cc(c1n3c2ccccc2n1)c1nc2c([nH]1)cccc2
EC Number:
299-778-4
Properties
Complexity:
927
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.138g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
467.488g/mol
Monoisotopic Mass:
467.138g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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