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289719-40-0 | 1,4,7,10-Tetraazacyclododecane, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 289719-40-0 Catalog No: AG002V1W MDL No:
Product Description
Catalog Number:
AG002V1W
Chemical Name:
1,4,7,10-Tetraazacyclododecane, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
289719-40-0
Molecular Formula:
C15H26N4O2S
Molecular Weight:
326.4575
IUPAC Name:
1-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
InChI:
InChI=1S/C15H26N4O2S/c1-14-2-4-15(5-3-14)22(20,21)19-12-10-17-8-6-16-7-9-18-11-13-19/h2-5,16-18H,6-13H2,1H3
InChI Key:
YNCLQKPNUKSGIP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCNCCNCCNCC1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
326.459g/mol
Monoisotopic Mass:
326.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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