Chemical ID: 4494322

CC(C)CN1C(=O)c2ccc(cc2C1=O)c3ccc4c(c3)C(=O)N(C4=O)CC(C)C
Chemical ID:
4494322
Name [?]:
2-isobutyl-5-(2-isobutyl-1,3-dioxo-isoindolin-5-yl)-isoindoline-1,3-dione
SMILES [?]:
CC(C)CN1C(=O)c2ccc(cc2C1=O)c3ccc4c(c3)C(=O)N(C4=O)CC(C)C
InChi [?]:
InChI=1/C24H24N2O4/c1-13(2)11-25-21(27)17-7-5-15(9-19(17)23(25)29)16-6-8-18-20(10-16)24(30)26(22(18)28)12-14(3)4/h5-10,13-14H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,29,30,10,17,9,18,12,21,4,27,2,28,11,16,8,19,13,20,6,25,14,22,5,24,7,26,15,23/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/rA:30nCCCCNCOCCCCCCCOCCCCCCCONCOCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s5s13;d14;s11;s16;d17;s18;d19;d16s20;s20;d22;s22;s19s24;d25;s24;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24N2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.294
Area:631.931
Solvation:-3.50424
Coulombic:-54.5476
Bond Count [?]
All:33
Single:23
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:404.458
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.34
LogP (Chemaxon):3.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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