Chemical ID: 7296834

COc1cc(cc(c1OC)OC)CCC(=O)Nc2cccc(c2)C(=O)OC
Chemical ID:
7296834
Name [?]:
methyl 3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate
SMILES [?]:
COc1cc(cc(c1OC)OC)CCC(=O)Nc2cccc(c2)C(=O)OC
InChi [?]:
InChI=1/C20H23NO6/c1-24-16-10-13(11-17(25-2)19(16)26-3)8-9-18(22)21-15-7-5-6-14(12-15)20(23)27-4/h5-7,10-12H,8-9H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,12,10,27,20,21,19,13,14,4,6,23,5,22,18,3,7,15,8,24,17,16,25,2,11,9,26/E:(1,2)(10,11)(16,17)(24,25)/rA:27nCOCCCCCCOCOCCCCONCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO6
All Atoms:50
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.63827
Area:616.503
Solvation:-7.7743
Coulombic:-60.7274
Bond Count [?]
All:28
Single:20
Double:8
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:373.4
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.25
LogP (Chemaxon):2.4

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