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403604-85-3 | Ethenesulfonamide, N-[6-methoxy-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-2-phenyl-, (1E)-
CAS No: 403604-85-3 Catalog No: AG00JOHS MDL No:
Product Description
Catalog Number:
AG00JOHS
Chemical Name:
Ethenesulfonamide, N-[6-methoxy-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-2-phenyl-, (1E)-
CAS Number:
403604-85-3
Molecular Formula:
C24H21N5O5S
Molecular Weight:
491.5190
IUPAC Name:
(E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
InChI:
InChI=1S/C24H21N5O5S/c1-32-18-11-6-7-12-19(18)34-20-21(29-35(30,31)16-13-17-9-4-3-5-10-17)27-23(28-24(20)33-2)22-25-14-8-15-26-22/h3-16H,1-2H3,(H,27,28,29)/b16-13+
InChI Key:
LONWRQOYFPYMQD-DTQAZKPQSA-N
SMILES:
COc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)/C=C/c1ccccc1)c1ncccn1
UNII:
IJ670B0H4A
Properties
Complexity:
767
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
491.126g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
491.522g/mol
Monoisotopic Mass:
491.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| In vitro and in vivo effects of endothelin-1 and YM598, a selective endothelin ET A receptor antagonist, on the lower urinary tract. | European journal of pharmacology 20080212 |
| Pharmacological characterization of YM598, a selective endothelin-A receptor antagonist. | Journal of cardiovascular pharmacology 20041101 |
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