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1076198-89-4 | Benzoxazolemethanesulfonamide-N-(6-methyl-hexanoate)
CAS No: 1076198-89-4 Catalog No: AG007E9T MDL No:
Product Description
Catalog Number:
AG007E9T
Chemical Name:
Benzoxazolemethanesulfonamide-N-(6-methyl-hexanoate)
CAS Number:
1076198-89-4
Molecular Formula:
C15H20N2O5S
Molecular Weight:
340.3947
IUPAC Name:
methyl 6-(1,3-benzoxazol-2-ylmethylsulfonylamino)hexanoate
InChI:
InChI=1S/C15H20N2O5S/c1-21-15(18)9-3-2-6-10-16-23(19,20)11-14-17-12-7-4-5-8-13(12)22-14/h4-5,7-8,16H,2-3,6,9-11H2,1H3
InChI Key:
GATCNPMBKDSDPK-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCNS(=O)(=O)Cc1nc2c(o1)cccc2
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.394g/mol
Monoisotopic Mass:
340.109g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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