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Chemical ID: 6333295
Chemical ID:
6333295
Name [?]:
2,5-dimethoxy-N,N'-bis(tetrahydrofuran-2-ylmethyl)terephthalamide
SMILES [?]:
COc1cc(c(cc1C(=O)NCC2CCCO2)OC)C(=O)NCC3CCCO3
InChi [?]:
InChI=1/C20H28N2O6/c1-25-17-9-16(20(24)22-12-14-6-4-8-28-14)18(26-2)10-15(17)19(23)21-11-13-5-3-7-27-13/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,19,15,26,14,25,16,27,4,7,12,23,13,24,8,5,3,6,9,20,11,22,10,21,2,18,17,28/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)/gE:(1,2)/rA:28cCOCCCCCCCONCCCCCOOCCONCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s15;s13s16;s6;s18;s5;d20;s20;s22;s23;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N2O6 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.72314 |
Area: | 629.529 |
Solvation: | -9.01509 |
Coulombic: | -69.3257 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 392.446 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 1.37 |
LogP (Chemaxon): | -0.2 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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