Chemical ID: 4268796

COc1cccc(c1)NC(=O)c2ccc(cc2)C(=O)Nc3cccc(c3)OC
Chemical ID:
4268796
Name [?]:
N,N'-bis(3-methoxyphenyl)terephthalamide
SMILES [?]:
COc1cccc(c1)NC(=O)c2ccc(cc2)C(=O)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C22H20N2O4/c1-27-19-7-3-5-17(13-19)23-21(25)15-9-11-16(12-10-15)22(26)24-18-6-4-8-20(14-18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,28,5,23,6,22,4,24,13,17,14,16,8,26,12,15,7,21,3,25,10,18,9,20,11,19,2,27/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:28nCOCCCCCCNCOCCCCCCCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.36449
Area:612.987
Solvation:-5.96017
Coulombic:-57.5272
Bond Count [?]
All:30
Single:19
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:376.405
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.79
LogP (Chemaxon):3.65

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Experimental Annotations

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Descriptor Annotations

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