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835891-49-1 | 8-ethyl-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CAS No: 835891-49-1 Catalog No: AG018WP7 MDL No:
Product Description
Catalog Number:
AG018WP7
Chemical Name:
8-ethyl-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CAS Number:
835891-49-1
Molecular Formula:
C22H23NO2
Molecular Weight:
333.4235
IUPAC Name:
6-ethyl-9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione
InChI:
InChI=1S/C22H23NO2/c1-5-14-11-16-18-17(12-14)22(4,15-9-7-6-8-10-15)13-21(2,3)23(18)20(25)19(16)24/h6-12H,5,13H2,1-4H3
InChI Key:
APSDNHILMKVJBP-UHFFFAOYSA-N
SMILES:
CCc1cc2C(=O)C(=O)N3c2c(c1)C(C)(CC3(C)C)c1ccccc1
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.173g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.431g/mol
Monoisotopic Mass:
333.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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