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Chemical ID: 7708110
Chemical ID:
7708110
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(cc2)OC)C=NNC(=O)COc3cccc(c3)C
InChi [?]:
InChI=1/C26H26N2O6/c1-4-32-24-15-19(16-27-28-25(29)17-33-22-7-5-6-18(2)14-22)8-13-23(24)34-26(30)20-9-11-21(31-3)12-10-20/h5-16H,4,17H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,34,20,2,30,31,29,7,14,18,15,17,8,33,5,21,26,32,6,13,16,28,9,4,24,11,22,23,25,12,19,3,27,10/E:(9,10)(11,12)/rA:34nCCOCCCCCCOCOCCCCCCOCCNNCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s6;w21;s22;s23;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N2O6 |
All Atoms: | 60 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.78807 |
Area: | 755.344 |
Solvation: | -9.09552 |
Coulombic: | -60.2544 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.6 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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