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Chemical ID: 7707401
Chemical ID:
7707401
Name [?]:
None
SMILES [?]:
Cc1ccccc1C(=O)Oc2ccc(cc2)C=NNC(=O)C(=O)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C24H21N3O5/c1-16-6-3-4-9-21(16)24(30)32-19-12-10-17(11-13-19)15-25-27-23(29)22(28)26-18-7-5-8-20(14-18)31-2/h3-15H,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,32,4,5,27,3,26,28,6,13,15,12,16,30,17,2,14,25,11,29,7,22,20,8,18,24,19,23,21,9,31,10/E:(10,11)(12,13)/rA:32nCCCCCCCCOOCCCCCCCNNCOCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;d22;s22;s24;s25;d26;s27;d28;d25s29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N3O5 |
All Atoms: | 53 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.2802 |
Area: | 695.824 |
Solvation: | -5.1154 |
Coulombic: | -72.1882 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.88 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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