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Chemical ID: 6493859
Chemical ID:
6493859
Name [?]:
1,2-bis(4-diethylaminophenyl)ethane-1,2-dione
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)C(=O)c2ccc(cc2)N(CC)CC
InChi [?]:
InChI=1/C22H28N2O2/c1-5-23(6-2)19-13-9-17(10-14-19)21(25)22(26)18-11-15-20(16-12-18)24(7-3)8-4/h9-16H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,24,26,2,4,23,25,8,10,17,21,7,11,18,20,9,16,6,19,12,14,3,22,13,15/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/rA:26nCCNCCCCCCCCCOCOCCCCCCNCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6093 |
Area: | 609.1 |
Solvation: | -2.61818 |
Coulombic: | -32.9407 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 352.47 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.3 |
LogP (Chemaxon): | 5.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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