Chemical ID: 6493859

CCN(CC)c1ccc(cc1)C(=O)C(=O)c2ccc(cc2)N(CC)CC
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

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Descriptor Annotations

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