Chemical ID: 5793909

Cc1cccc(c1O)C=NNC(=O)CNC(=O)c2cc(c(c(c2)OC)OC)OC
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

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Descriptor Annotations

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