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Chemical ID: 7296834
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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