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130964-40-8 | 5-Isoquinolinesulfonamide, N-[2-[(3-phenyl-2-propen-1-yl)amino]ethyl]-
CAS No: 130964-40-8 Catalog No: AG000V72 MDL No:
Product Description
Catalog Number:
AG000V72
Chemical Name:
5-Isoquinolinesulfonamide, N-[2-[(3-phenyl-2-propen-1-yl)amino]ethyl]-
CAS Number:
130964-40-8
Molecular Formula:
C20H21N3O2S
Molecular Weight:
367.4646
IUPAC Name:
N-[2-(3-phenylprop-2-enylamino)ethyl]isoquinoline-5-sulfonamide
InChI:
InChI=1S/C20H21N3O2S/c24-26(25,20-10-4-9-18-16-22-13-11-19(18)20)23-15-14-21-12-5-8-17-6-2-1-3-7-17/h1-11,13,16,21,23H,12,14-15H2
InChI Key:
DHYYPPHQZMSVKX-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cccc2c1ccnc2)NCCNCC=Cc1ccccc1
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.135g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.467g/mol
Monoisotopic Mass:
367.135g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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