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Home > Nitro Compounds > 683806-41-9
683806-41-9 | Propanamide, N-[(8-hydroxy-5-nitro-7-quinolinyl)-2-thienylmethyl]-2-methyl-
CAS No: 683806-41-9 Catalog No: AG005QOK MDL No:
Product Description
Catalog Number:
AG005QOK
Chemical Name:
Propanamide, N-[(8-hydroxy-5-nitro-7-quinolinyl)-2-thienylmethyl]-2-methyl-
CAS Number:
683806-41-9
Molecular Formula:
C18H17N3O4S
Molecular Weight:
371.4103
IUPAC Name:
N-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide
InChI:
InChI=1S/C18H17N3O4S/c1-10(2)18(23)20-15(14-6-4-8-26-14)12-9-13(21(24)25)11-5-3-7-19-16(11)17(12)22/h3-10,15,22H,1-2H3,(H,20,23)
InChI Key:
UGVXTILPQFDWHE-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)NC(c1cc([N+](=O)[O-])c2c(c1O)nccc2)c1cccs1
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.094g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.411g/mol
Monoisotopic Mass:
371.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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