Chemical ID: 6182210

COc1ccc(c(c1)C=NNC(=O)CNC(=O)c2cc(cc(c2)OC)OC)OC
Chemical ID:
6182210
Name [?]:
N-[(2,5-dimethoxyphenyl)methyleneaminocarbamoylmethyl]-3,5-dimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)CNC(=O)c2cc(cc(c2)OC)OC)OC
InChi [?]:
InChI=1/C20H23N3O6/c1-26-15-5-6-18(29-4)14(9-15)11-22-23-19(24)12-21-20(25)13-7-16(27-2)10-17(8-13)28-3/h5-11H,12H2,1-4H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,27,29,4,5,23,19,8,21,9,14,18,7,3,22,20,6,12,16,15,10,11,13,17,2,24,26,28/E:(2,3)(7,8)(16,17)(27,28)/rA:29nCOCCCCCCCNNCOCNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s20;s26;s6;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N3O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.395
Area:648.766
Solvation:-8.82413
Coulombic:-66.7467
Bond Count [?]
All:30
Single:21
Double:9
Rotors:11
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:401.413
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:2.83
LogP (Chemaxon):1.16

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Descriptor Annotations

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