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Chemical ID: 4159834
Chemical ID:
4159834
Name [?]:
4-[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]acetyl]aminobenzoic acid
SMILES [?]:
CC(C)(c1ccccc1)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C24H23NO4/c1-24(2,18-6-4-3-5-7-18)19-10-14-21(15-11-19)29-16-22(26)25-20-12-8-17(9-13-20)23(27)28/h3-15H,16H2,1-2H3,(H,25,26)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,3,7,6,8,5,9,23,25,11,15,22,26,12,14,17,24,4,10,21,13,18,27,2,20,19,28,29,16/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(27,28)/rA:29nCCCCCCCCCCCCCCCOCCONCCCCCCCOO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s2;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6222 |
Area: | 631.184 |
Solvation: | -5.15742 |
Coulombic: | -58.2421 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 389.444 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.6 |
LogP (Chemaxon): | 5.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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