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Chemical ID: 7704396
Chemical ID:
7704396
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2cccc(c2)OCc3ccccc3
InChi [?]:
InChI=1/C24H23N3O4/c1-2-30-21-13-11-20(12-14-21)26-23(28)24(29)27-25-16-19-9-6-10-22(15-19)31-17-18-7-4-3-5-8-18/h3-16H,2,17H2,1H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,2,29,28,30,20,27,31,19,21,6,8,5,9,23,17,25,26,18,7,4,22,11,13,16,10,15,12,14,3,24/E:(4,5)(7,8)(11,12)(13,14)/rA:31nCCOCCCCCCNCOCONNCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3O4 |
All Atoms: | 54 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.869 |
Area: | 704.647 |
Solvation: | -5.74716 |
Coulombic: | -60.4985 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.99 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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