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84916-57-4 | Decanoic acid, 1-((octahydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-2-(4-( 2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1
CAS No: 84916-57-4 Catalog No: AG00GOIN MDL No:
Product Description
Catalog Number:
AG00GOIN
Chemical Name:
Decanoic acid, 1-((octahydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-2-(4-( 2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1
CAS Number:
84916-57-4
IUPAC Name:
(E)-but-2-enedioic acid;[1-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] decanoate
InChI:
InChI=1S/C30H46N4O4.2C4H4O4/c1-2-3-4-5-6-7-8-16-28(35)38-24(23-34-29(36)25-13-9-10-14-26(25)30(34)37)22-32-18-20-33(21-19-32)27-15-11-12-17-31-27;2*5-3(6)1-2-4(7)8/h11-12,15,17,24-26H,2-10,13-14,16,18-23H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChI Key:
FXJZRGQWHVLWDC-LVEZLNDCSA-N
Properties
Complexity:
864
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
758.374g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
758.866g/mol
Monoisotopic Mass:
758.374g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
232A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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