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Chemical ID: 7707690
Chemical ID:
7707690
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C(=O)NCC(=O)NN=CC=Cc2ccccc2
InChi [?]:
InChI=1/C20H21N3O3/c1-2-26-18-12-10-17(11-13-18)20(25)21-15-19(24)23-22-14-6-9-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,25,19,22,26,20,6,8,5,9,18,13,21,7,4,14,10,12,17,16,15,11,3/E:(4,5)(7,8)(10,11)(12,13)/rA:26nCCOCCCCCCCONCCONNCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;w17;s18;w19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O3 |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3073 |
Area: | 634.613 |
Solvation: | -5.55799 |
Coulombic: | -49.1084 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.78 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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