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Chemical ID: 7704586
Chemical ID:
7704586
Name [?]:
None
SMILES [?]:
CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(cc3)OCCC
InChi [?]:
InChI=1/C30H34N2O6/c1-4-6-7-22-8-13-26(14-9-22)37-21-29(33)32-31-20-23-10-17-27(28(19-23)35-3)38-30(34)24-11-15-25(16-12-24)36-18-5-2/h8-17,19-20H,4-7,18,21H2,1-3H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,38,25,2,37,3,4,6,10,19,30,34,7,9,31,33,20,36,23,17,12,5,18,29,32,8,21,22,13,27,16,15,14,28,24,35,11,26/E:(8,9)(11,12)(13,14)(15,16)/rA:38nCCCCCCCCCCOCCONNCCCCCCCOCOCOCCCCCCOCCC/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;s21;s26;d27;s27;s29;d30;s31;d32;d29s33;s32;s35;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H34N2O6 |
All Atoms: | 72 |
Heavy Atoms: | 38 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.3573 |
Area: | 858.299 |
Solvation: | -9.1002 |
Coulombic: | -61.6796 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 16 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.56 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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