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Chemical ID: 6621039
Chemical ID:
6621039
Name [?]:
N,N'-bis[(2-ethoxyphenyl)methyleneamino]nonanediamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccccc2OCC
InChi [?]:
InChI=1/C27H36N4O4/c1-3-34-24-16-12-10-14-22(24)20-28-30-26(32)18-8-6-5-7-9-19-27(33)31-29-21-23-15-11-13-17-25(23)35-4-2/h10-17,20-21H,3-9,18-19H2,1-2H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,35,2,34,18,17,19,16,20,7,29,6,30,8,28,5,31,15,21,10,26,9,27,4,32,13,22,11,25,12,24,14,23,3,33/E:(1,2)(3,4)(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)/gE:(1,2)/rA:35nCCOCCCCCCCNNCOCCCCCCCCONNCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;d22;s22;s24;w25;s26;s27;d28;s29;d30;d27s31;s32;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H36N4O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6434 |
Area: | 828.141 |
Solvation: | -8.06012 |
Coulombic: | -51.8383 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 18 |
Chiral: | 2 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 480.599 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 7.1 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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