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Home > Indoles and Oxindole > 74484-69-8
74484-69-8 | 1H-Isoindole-1,3(2H)-dione,2-[[4-(hexahydro-1H-azepin-1-yl)-2-butyn-1-yl]oxy]-
CAS No: 74484-69-8 Catalog No: AG005JP1 MDL No:
Product Description
Catalog Number:
AG005JP1
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-[[4-(hexahydro-1H-azepin-1-yl)-2-butyn-1-yl]oxy]-
CAS Number:
74484-69-8
Molecular Formula:
C18H20N2O3
Molecular Weight:
312.3630
IUPAC Name:
2-[4-(azepan-1-yl)but-2-ynoxy]isoindole-1,3-dione
InChI:
InChI=1S/C18H20N2O3/c21-17-15-9-3-4-10-16(15)18(22)20(17)23-14-8-7-13-19-11-5-1-2-6-12-19/h3-4,9-10H,1-2,5-6,11-14H2
InChI Key:
DWMJZELMNHSXAW-UHFFFAOYSA-N
SMILES:
O=C1N(OCC#CCN2CCCCCC2)C(=O)c2c1cccc2
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.369g/mol
Monoisotopic Mass:
312.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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