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Chemical ID: 7304746
Chemical ID:
7304746
Name [?]:
dimethyl 5-[2-(2,4,6-trimethylphenoxy)acetyl]aminobenzene-1,3-dicarboxylate
SMILES [?]:
Cc1cc(c(c(c1)C)OCC(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C
InChi [?]:
InChI=1/C21H23NO6/c1-12-6-13(2)19(14(3)7-12)28-11-18(23)22-17-9-15(20(24)26-4)8-16(10-17)21(25)27-5/h6-10H,11H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,28,23,27,7,3,17,19,15,10,2,6,4,18,16,14,11,5,20,24,13,12,21,25,22,26,9/E:(2,3)(4,5)(6,7)(9,10)(13,14)(15,16)(20,21)(24,25)(26,27)/rA:28nCCCCCCCCOCCONCCCCCCCOOCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s16;d24;s24;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23NO6 |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3182 |
Area: | 635.246 |
Solvation: | -5.56292 |
Coulombic: | -66.6225 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 385.41 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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