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Chemical ID: 7707198
Chemical ID:
7707198
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3)OCC
InChi [?]:
InChI=1/C26H26N2O5/c1-3-19-5-11-23(12-6-19)32-18-25(29)28-27-17-20-7-13-24(14-8-20)33-26(30)21-9-15-22(16-10-21)31-4-2/h5-17H,3-4,18H2,1-2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,33,2,32,4,8,17,21,26,30,5,7,18,20,27,29,15,10,3,16,25,28,6,19,11,23,14,13,12,24,31,9,22/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:33nCCCCCCCCOCCONNCCCCCCCOCOCCCCCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N2O5 |
All Atoms: | 59 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0956 |
Area: | 751.006 |
Solvation: | -7.6796 |
Coulombic: | -53.6448 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.42 |
LogP (Chemaxon): | None |
Name Annotations
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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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