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477862-27-4 | 4-[4-(2-thienyl)-2-pyrimidinyl]phenyl 4-(acetylamino)benzenesulfonate
CAS No: 477862-27-4 Catalog No: AG01FOPL MDL No:
Product Description
Catalog Number:
AG01FOPL
Chemical Name:
4-[4-(2-thienyl)-2-pyrimidinyl]phenyl 4-(acetylamino)benzenesulfonate
CAS Number:
477862-27-4
IUPAC Name:
[4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] 4-acetamidobenzenesulfonate
InChI:
InChI=1S/C22H17N3O4S2/c1-15(26)24-17-6-10-19(11-7-17)31(27,28)29-18-8-4-16(5-9-18)22-23-13-12-20(25-22)21-3-2-14-30-21/h2-14H,1H3,(H,24,26)
InChI Key:
BFKUBDZCHHVCQN-UHFFFAOYSA-N
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.066g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
451.515g/mol
Monoisotopic Mass:
451.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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