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Chemical ID: 7056044
Chemical ID:
7056044
Name [?]:
methyl 4-[2-[4-(2-ethoxyethoxy)phenoxy]acetyl]aminobenzoate
SMILES [?]:
CCOCCOc1ccc(cc1)OCC(=O)Nc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C20H23NO6/c1-3-25-12-13-26-17-8-10-18(11-9-17)27-14-19(22)21-16-6-4-15(5-7-16)20(23)24-2/h4-11H,3,12-14H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,27,2,20,22,19,23,8,12,9,11,4,5,14,21,18,7,10,15,24,17,16,25,26,3,6,13/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCOCCOCCCCCCOCCONCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO6 |
All Atoms: | 50 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86687 |
Area: | 640.843 |
Solvation: | -8.15419 |
Coulombic: | -61.5985 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 373.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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