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Chemical ID: 6182220
Chemical ID:
6182220
Name [?]:
3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C=NNC(=O)CNC(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C22H27N3O8/c1-28-15-7-13(8-16(29-2)20(15)32-5)11-24-25-19(26)12-23-22(27)14-9-17(30-3)21(33-6)18(10-14)31-4/h7-11H,12H2,1-6H3,(H,23,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,12,29,33,10,31,4,6,27,23,13,18,5,22,3,7,26,24,16,8,25,20,19,14,15,17,21,2,11,28,32,9,30/E:(1,2)(3,4)(7,8)(9,10)(15,16)(17,18)(28,29)(30,31)/rA:33nCOCCCCCCOCOCCNNCOCNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;s15;d16;s16;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s24;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27N3O8 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.39294 |
Area: | 699.311 |
Solvation: | -13.0898 |
Coulombic: | -80.2439 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 461.465 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 11 |
XLogP: | 1.85 |
LogP (Chemaxon): | 0.65 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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