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Chemical ID: 7706355
Chemical ID:
7706355
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)OCC(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C25H24N2O5/c1-3-18-7-11-22(12-8-18)31-17-24(28)27-26-16-19-5-4-6-23(15-19)32-25(29)20-9-13-21(30-2)14-10-20/h4-16H,3,17H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,32,2,18,17,19,4,8,26,30,5,7,27,29,21,15,10,3,16,25,28,6,20,11,23,14,13,12,24,31,9,22/E:(7,8)(9,10)(11,12)(13,14)/rA:32nCCCCCCCCOCCONNCCCCCCCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O5 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3675 |
Area: | 722.679 |
Solvation: | -7.69946 |
Coulombic: | -53.4308 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.99 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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