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84916-38-1 | Hexanoic acid, 1-((1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl) methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioa te (1
CAS No: 84916-38-1 Catalog No: AG00GD68 MDL No:
Product Description
Catalog Number:
AG00GD68
Chemical Name:
Hexanoic acid, 1-((1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl) methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioa te (1
CAS Number:
84916-38-1
IUPAC Name:
(E)-but-2-enedioic acid;[1-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] hexanoate
InChI:
InChI=1S/C26H36N4O4.2C4H4O4/c1-2-3-4-12-24(31)34-20(19-30-25(32)21-9-5-6-10-22(21)26(30)33)18-28-14-16-29(17-15-28)23-11-7-8-13-27-23;2*5-3(6)1-2-4(7)8/h5-8,11,13,20-22H,2-4,9-10,12,14-19H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChI Key:
QWOYVHCWTMASEI-LVEZLNDCSA-N
Properties
Complexity:
842
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
700.296g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
700.742g/mol
Monoisotopic Mass:
700.296g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
232A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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