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Chemical ID: 6669040
Chemical ID:
6669040
Name [?]:
N,N'-bis[(3-hydroxy-4-methoxy-phenyl)methyleneamino]decanediamide
SMILES [?]:
COc1ccc(cc1O)C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(c(c2)O)OC
InChi [?]:
InChI=1/C26H34N4O6/c1-35-23-13-11-19(15-21(23)31)17-27-29-25(33)9-7-5-3-4-6-8-10-26(34)30-28-18-20-12-14-24(36-2)22(32)16-20/h11-18,31-32H,3-10H2,1-2H3,(H,29,33)(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,36,18,19,17,20,16,21,15,22,5,29,4,30,7,33,10,27,6,28,8,32,3,31,13,23,11,26,12,25,9,34,14,24,2,35/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:36nCOCCCCCCOCNNCOCCCCCCCCCONNCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;w10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;s22;d23;s23;s25;w26;s27;s28;d29;s30;d31;d28s32;s32;s31;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H34N4O6 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60284 |
Area: | 828.262 |
Solvation: | -11.1037 |
Coulombic: | -80.9823 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 17 |
Chiral: | 2 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 498.572 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 10 |
XLogP: | 6.01 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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