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13676-54-5 | 1,1'-(Methylenedi-4,1-phenylene)bis[1H-pyrrole-2,5-dione]
CAS No: 13676-54-5 Catalog No: AG0034JC MDL No:MFCD00005507
Product Description
Catalog Number:
AG0034JC
Chemical Name:
1,1'-(Methylenedi-4,1-phenylene)bis[1H-pyrrole-2,5-dione]
CAS Number:
13676-54-5
Molecular Formula:
C21H14N2O4
Molecular Weight:
358.3469
MDL Number:
MFCD00005507
IUPAC Name:
1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione
InChI:
InChI=1S/C21H14N2O4/c24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27/h1-12H,13H2
InChI Key:
XQUPVDVFXZDTLT-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O
EC Number:
237-163-4
UNII:
I67AL345KM
NSC Number:
44754
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.095g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.353g/mol
Monoisotopic Mass:
358.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and in vitro evaluation of N-substituted maleimide derivatives as selective monoglyceride lipase inhibitors. | Journal of medicinal chemistry 20091210 |
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