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Chemical ID: 5793909
Chemical ID:
5793909
Name [?]:
N-[(2-hydroxy-3-methyl-phenyl)methyleneaminocarbamoylmethyl]-3,4,5-trimethoxy-benzamide
SMILES [?]:
Cc1cccc(c1O)C=NNC(=O)CNC(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C20H23N3O6/c1-12-6-5-7-13(18(12)25)10-22-23-17(24)11-21-20(26)14-8-15(27-2)19(29-4)16(9-14)28-3/h5-10,25H,11H2,1-4H3,(H,21,26)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,29,27,4,3,5,23,19,9,14,2,6,18,22,20,12,7,21,16,15,10,11,13,8,17,24,28,26/E:(2,3)(8,9)(15,16)(27,28)/rA:29nCCCCCCCOCNNCOCNCOCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s20;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O6 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.86811 |
Area: | 639.229 |
Solvation: | -9.11261 |
Coulombic: | -76.5922 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 401.413 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 9 |
XLogP: | 2.33 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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