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Home > Nitro Compounds > 633318-59-9
633318-59-9 | 2-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]-2-oxo-N,N-bis(prop-2-en-1-yl)acetamide
CAS No: 633318-59-9 Catalog No: AG00IT84 MDL No:MFCD02667623
Product Description
Catalog Number:
AG00IT84
Chemical Name:
2-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]-2-oxo-N,N-bis(prop-2-en-1-yl)acetamide
CAS Number:
633318-59-9
Molecular Formula:
C20H21N3O4
Molecular Weight:
367.3984
MDL Number:
MFCD02667623
IUPAC Name:
2-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-oxo-N,N-bis(prop-2-enyl)acetamide
InChI:
InChI=1S/C20H21N3O4/c1-5-11-21(12-6-2)20(25)19(24)18-13-14(3)22(15(18)4)16-7-9-17(10-8-16)23(26)27/h5-10,13H,1-2,11-12H2,3-4H3
InChI Key:
KCNIUTNPOLYBGF-UHFFFAOYSA-N
SMILES:
C=CCN(C(=O)C(=O)c1cc(n(c1C)c1ccc(cc1)[N+](=O)[O-])C)CC=C
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.153g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.405g/mol
Monoisotopic Mass:
367.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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