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873307-21-2 | (2E)-N-{4-[(Dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-3-(4-methylphenyl)prop-2-enamide
CAS No: 873307-21-2 Catalog No: AG01EY1C MDL No:
Product Description
Catalog Number:
AG01EY1C
Chemical Name:
(2E)-N-{4-[(Dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-3-(4-methylphenyl)prop-2-enamide
CAS Number:
873307-21-2
Molecular Formula:
C21H21N3O4S
Molecular Weight:
411.4741
IUPAC Name:
(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
InChI:
InChI=1S/C21H21N3O4S/c1-14-4-6-17(7-5-14)8-13-20(25)22-18-9-11-19(12-10-18)29(26,27)24-21-15(2)16(3)23-28-21/h4-13,24H,1-3H3,(H,22,25)/b13-8+
InChI Key:
YGPDTMWANKKGSY-MDWZMJQESA-N
SMILES:
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C)/C=C/c1ccc(cc1)C
Properties
Complexity:
675
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
411.125g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
411.476g/mol
Monoisotopic Mass:
411.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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