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Chemical ID: 4494322
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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