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74484-70-1 | 1H-Isoindole-1,3(2H)-dione,2-[[4-(hexahydro-1(2H)-azocinyl)-2-butyn-1-yl]oxy]-
CAS No: 74484-70-1 Catalog No: AG005XMB MDL No:
Product Description
Catalog Number:
AG005XMB
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-[[4-(hexahydro-1(2H)-azocinyl)-2-butyn-1-yl]oxy]-
CAS Number:
74484-70-1
Molecular Formula:
C19H22N2O3
Molecular Weight:
326.3896
IUPAC Name:
2-[4-(azocan-1-yl)but-2-ynoxy]isoindole-1,3-dione
InChI:
InChI=1S/C19H22N2O3/c22-18-16-10-4-5-11-17(16)19(23)21(18)24-15-9-8-14-20-12-6-2-1-3-7-13-20/h4-5,10-11H,1-3,6-7,12-15H2
InChI Key:
YUWAPUDCCDLAIU-UHFFFAOYSA-N
SMILES:
O=C1N(OCC#CCN2CCCCCCC2)C(=O)c2c1cccc2
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.396g/mol
Monoisotopic Mass:
326.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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