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192712-47-3 | 5-Isoquinolinesulfonamide, N-[2-(hexylamino)propyl]-
CAS No: 192712-47-3 Catalog No: AG002G8Z MDL No:
Product Description
Catalog Number:
AG002G8Z
Chemical Name:
5-Isoquinolinesulfonamide, N-[2-(hexylamino)propyl]-
CAS Number:
192712-47-3
Molecular Formula:
C18H27N3O2S
Molecular Weight:
349.4909
IUPAC Name:
N-[2-(hexylamino)propyl]isoquinoline-5-sulfonamide
InChI:
InChI=1S/C18H27N3O2S/c1-3-4-5-6-11-20-15(2)13-21-24(22,23)18-9-7-8-16-14-19-12-10-17(16)18/h7-10,12,14-15,20-21H,3-6,11,13H2,1-2H3
InChI Key:
GYMKHQKAWVWANT-UHFFFAOYSA-N
SMILES:
CCCCCCNC(CNS(=O)(=O)c1cccc2c1ccnc2)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.182g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.493g/mol
Monoisotopic Mass:
349.182g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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