Home Sulfos 2-(dicyclohexylamino)-N-(4-{4-[2-(dicyclohexylamino)acetamido]benzenesulfonyl}phenyl)acetamide

2-(dicyclohexylamino)-N-(4-{4-[2-(dicyclohexylamino)acetamido]benzenesulfonyl}phenyl)acetamide

CAS No.:
2907-88-2
Catalog Number:
AG01EE7W
Molecular Formula:
C40H58N4O4S
Molecular Weight:
690.9779
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Product Description
Catalog Number:
AG01EE7W
Chemical Name:
2-(dicyclohexylamino)-N-(4-{4-[2-(dicyclohexylamino)acetamido]benzenesulfonyl}phenyl)acetamide
CAS Number:
2907-88-2
Molecular Formula:
C40H58N4O4S
Molecular Weight:
690.9779
MDL Number:
MFCD31800417
IUPAC Name:
2-(dicyclohexylamino)-N-[4-[4-[[2-(dicyclohexylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide
InChI:
InChI=1S/C40H58N4O4S/c45-39(29-43(33-13-5-1-6-14-33)34-15-7-2-8-16-34)41-31-21-25-37(26-22-31)49(47,48)38-27-23-32(24-28-38)42-40(46)30-44(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h21-28,33-36H,1-20,29-30H2,(H,41,45)(H,42,46)
InChI Key:
JQYJJPSTWWRURQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)CN(C1CCCCC1)C1CCCCC1)CN(C1CCCCC1)C1CCCCC1
NSC Number:
37249
Properties
Complexity:
1000  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
690.418g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
690.988g/mol
Monoisotopic Mass:
690.418g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4  
Properties