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147471-14-5 | 1,3-diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylidene}propanedioate
CAS No: 147471-14-5 Catalog No: AG00IV3G MDL No:MFCD05670048
Product Description
Catalog Number:
AG00IV3G
Chemical Name:
1,3-diethyl 2-{[4-(1H-imidazol-1-yl)phenyl]methylidene}propanedioate
CAS Number:
147471-14-5
Molecular Formula:
C17H18N2O4
Molecular Weight:
314.3358
MDL Number:
MFCD05670048
IUPAC Name:
diethyl 2-[(4-imidazol-1-ylphenyl)methylidene]propanedioate
InChI:
InChI=1S/C17H18N2O4/c1-3-22-16(20)15(17(21)23-4-2)11-13-5-7-14(8-6-13)19-10-9-18-12-19/h5-12H,3-4H2,1-2H3
InChI Key:
COWHYAVISGJLBW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccc(cc1)n1cncc1)C(=O)OCC
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.341g/mol
Monoisotopic Mass:
314.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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