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Chemical ID: 4816822
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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