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100243-27-4 | Benzamide, 5-(aminosulfonyl)-N-[3-(1,2-diazabicyclo[2.2.2]oct-3-yl)propyl]-2-methoxy-
CAS No: 100243-27-4 Catalog No: AG0001CU MDL No:
Product Description
Catalog Number:
AG0001CU
Chemical Name:
Benzamide, 5-(aminosulfonyl)-N-[3-(1,2-diazabicyclo[2.2.2]oct-3-yl)propyl]-2-methoxy-
CAS Number:
100243-27-4
Molecular Formula:
C17H26N4O4S
Molecular Weight:
382.4777
IUPAC Name:
N-[3-(1,2-diazabicyclo[2.2.2]octan-3-yl)propyl]-2-methoxy-5-sulfamoylbenzamide
InChI:
InChI=1S/C17H26N4O4S/c1-25-16-5-4-13(26(18,23)24)11-14(16)17(22)19-8-2-3-15-12-6-9-21(20-15)10-7-12/h4-5,11-12,15,20H,2-3,6-10H2,1H3,(H,19,22)(H2,18,23,24)
InChI Key:
RYVUSCLBWGINKK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)NCCCC1NN2CCC1CC2)S(=O)(=O)N
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.167g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
382.479g/mol
Monoisotopic Mass:
382.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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