Chemical ID: 4662035

COc1ccc2c(c1)C(=NNC(=O)CCCCCCC(=O)NN=C3c4cc(ccc4NC3=O)OC)C(=O)N2
Chemical ID:
4662035
Name [?]:
N,N'-bis[(5-methoxy-2-oxo-indolin-3-ylidene)amino]octanediamide
SMILES [?]:
COc1ccc2c(c1)C(=NNC(=O)CCCCCCC(=O)NN=C3c4cc(ccc4NC3=O)OC)C(=O)N2
InChi [?]:
InChI=1/C26H28N6O6/c1-37-15-9-11-19-17(13-15)23(25(35)27-19)31-29-21(33)7-5-3-4-6-8-22(34)30-32-24-18-14-16(38-2)10-12-20(18)28-26(24)36/h9-14H,3-8H2,1-2H3,(H,29,33)(H,30,34)(H,27,31,35)(H,28,32,36)
InChi Info:
AuxInfo=1/1/N:1,35,16,17,15,18,14,19,4,28,5,29,8,26,3,27,7,25,6,30,12,20,9,24,36,32,38,31,11,22,10,23,13,21,37,33,2,34/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)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/gE:(1,2)(3,4)/rA:38nCOCCCCCCCNNCOCCCCCCCONNCCCCCCCNCOOCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s19;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;s24s31;d32;s27;s34;s9;d36;s6s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N6O6
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:10.3263
Area:827.894
Solvation:-10.3711
Coulombic:-91.1124
Bond Count [?]
All:41
Single:29
Double:12
Rotors:13
Chiral:2
Rigid Segments:9
Chemical Properties
Molecular Weight:520.537
H-Bond Donors:4
H-Bond Acceptors:12
XLogP:3.42
LogP (Chemaxon):2.85

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