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Chemical ID: 4378857
Chemical ID:
4378857
Name [?]:
3,4-bis[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid
SMILES [?]:
COc1ccc(cc1)OCC(=O)Nc2ccc(cc2NC(=O)COc3ccc(cc3)OC)C(=O)O
InChi [?]:
InChI=1/C25H24N2O8/c1-32-17-4-8-19(9-5-17)34-14-23(28)26-21-12-3-16(25(30)31)13-22(21)27-24(29)15-35-20-10-6-18(33-2)7-11-20/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,32,16,4,8,27,29,5,7,26,30,15,18,10,23,17,3,28,6,25,14,19,11,21,33,13,20,12,22,34,35,2,31,9,24/E:(4,5)(6,7)(8,9)(10,11)(30,31)/rA:35nCOCCCCCCOCCONCCCCCCNCOCOCCCCCCOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;s17;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O8 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.60009 |
Area: | 747.472 |
Solvation: | -11.0867 |
Coulombic: | -95.137 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 480.467 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 10 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.72 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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