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94094-51-6 | N-(4-HYDROXY-3-(3-(4-(2-MORPHOLINOETHOXY)PHENYL)ACRYLOYL)PHENYL)BENZENESULFONAMIDE
CAS No: 94094-51-6 Catalog No: AG006840 MDL No:
Product Description
Catalog Number:
AG006840
Chemical Name:
N-(4-HYDROXY-3-(3-(4-(2-MORPHOLINOETHOXY)PHENYL)ACRYLOYL)PHENYL)BENZENESULFONAMIDE
CAS Number:
94094-51-6
Molecular Formula:
C27H28N2O6S
Molecular Weight:
508.5860
IUPAC Name:
N-[4-hydroxy-3-[(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoyl]phenyl]benzenesulfonamide
InChI:
InChI=1S/C27H28N2O6S/c30-26(12-8-21-6-10-23(11-7-21)35-19-16-29-14-17-34-18-15-29)25-20-22(9-13-27(25)31)28-36(32,33)24-4-2-1-3-5-24/h1-13,20,28,31H,14-19H2/b12-8+
InChI Key:
FXJJUOITYWTIIW-XYOKQWHBSA-N
SMILES:
O=C(c1cc(ccc1O)NS(=O)(=O)c1ccccc1)C=Cc1ccc(cc1)OCCN1CCOCC1
EC Number:
302-153-1
Properties
Complexity:
809
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
508.167g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
508.589g/mol
Monoisotopic Mass:
508.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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