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Chemical ID: 7706132
Chemical ID:
7706132
Name [?]:
None
SMILES [?]:
CCCCc1ccc(cc1)OCC(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C27H28N2O5/c1-3-4-6-20-9-13-24(14-10-20)33-19-26(30)29-28-18-21-7-5-8-25(17-21)34-27(31)22-11-15-23(32-2)16-12-22/h5,7-18H,3-4,6,19H2,1-2H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,34,2,3,20,4,19,21,6,10,28,32,7,9,29,31,23,17,12,5,18,27,30,8,22,13,25,16,15,14,26,33,11,24/E:(9,10)(11,12)(13,14)(15,16)/rA:34nCCCCCCCCCCOCCONNCCCCCCCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28N2O5 |
All Atoms: | 62 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.6819 |
Area: | 775.673 |
Solvation: | -7.70994 |
Coulombic: | -54.0746 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 13 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.13 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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