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Home > Imidazoles > 82457-10-1
82457-10-1 | 3-METHOXYMETHYL-7H-BENZIMIDAZO[2,1-A]BENZO[DE]ISOQUINOLIN-7-ONE
CAS No: 82457-10-1 Catalog No: AG004VXU MDL No:
Product Description
Catalog Number:
AG004VXU
Chemical Name:
3-METHOXYMETHYL-7H-BENZIMIDAZO[2,1-A]BENZO[DE]ISOQUINOLIN-7-ONE
CAS Number:
82457-10-1
Molecular Formula:
C20H14N2O2
Molecular Weight:
314.3374
IUPAC Name:
17-(methoxymethyl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
InChI:
InChI=1S/C20H14N2O2/c1-24-11-12-9-10-14-18-13(12)5-4-6-15(18)20(23)22-17-8-3-2-7-16(17)21-19(14)22/h2-10H,11H2,1H3
InChI Key:
MCSXTEUHUXINFC-UHFFFAOYSA-N
SMILES:
COCc1ccc2c3c1cccc3c(=O)n1c2nc2c1cccc2
EC Number:
279-952-6
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.344g/mol
Monoisotopic Mass:
314.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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