Chemical ID: 4816822

CCN1c2ccccc2C(=NNC(=O)CCCCC(=O)NN=C3c4ccccc4N(C3=O)CC)C1=O
Chemical ID:
4816822
Name [?]:
N,N'-bis[(1-ethyl-2-oxo-indolin-3-ylidene)amino]hexanediamide
SMILES [?]:
CCN1c2ccccc2C(=NNC(=O)CCCCC(=O)NN=C3c4ccccc4N(C3=O)CC)C1=O
InChi [?]:
InChI=1/C26H28N6O4/c1-3-31-19-13-7-5-11-17(19)23(25(31)35)29-27-21(33)15-9-10-16-22(34)28-30-24-18-12-6-8-14-20(18)32(4-2)26(24)36/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3,(H,27,33)(H,28,34)
InChi Info:
AuxInfo=1/1/N:1,34,2,33,7,26,6,27,16,17,8,25,5,28,15,18,9,24,4,29,13,19,10,23,35,31,12,21,11,22,3,30,14,20,36,32/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)/gE:(1,2)/rA:36nCCNCCCCCCCNNCOCCCCCONNCCCCCCCNCOCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;s18;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s29;s23s30;d31;s30;s33;s3s10;d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N6O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.9023
Area:785.178
Solvation:-7.72712
Coulombic:-70.7143
Bond Count [?]
All:39
Single:27
Double:12
Rotors:11
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:488.539
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:3.58
LogP (Chemaxon):2.78

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