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Chemical ID: 6397082
Chemical ID:
6397082
Name [?]:
N-(2,4-dimethoxyphenyl)-3,4,5-trimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)NC(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C18H21NO6/c1-21-12-6-7-13(14(10-12)22-2)19-18(20)11-8-15(23-3)17(25-5)16(9-11)24-4/h6-10H,1-5H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,21,25,23,4,5,19,15,8,14,3,6,7,18,16,17,12,11,13,2,9,20,24,22/E:(3,4)(8,9)(15,16)(23,24)/rA:25nCOCCCCCCOCNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s16;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO6 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.76962 |
Area: | 555.659 |
Solvation: | -8.12186 |
Coulombic: | -56.6702 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 347.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.17 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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