Chemical ID: 5861150

COc1ccc(c(c1)OC)C=NNC(=O)CNC(=O)c2ccc(c(c2)OC)OC
Chemical ID:
5861150
Name [?]:
N-[(2,4-dimethoxyphenyl)methyleneaminocarbamoylmethyl]-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C=NNC(=O)CNC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C20H23N3O6/c1-26-15-7-5-14(17(10-15)28-3)11-22-23-19(24)12-21-20(25)13-6-8-16(27-2)18(9-13)29-4/h5-11H,12H2,1-4H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,29,10,27,5,21,4,22,25,8,11,16,20,6,3,23,7,24,14,18,17,12,13,15,19,2,28,9,26/rA:29nCOCCCCCCOCCNNCOCNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N3O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:6.648
Area:647.655
Solvation:-9.54339
Coulombic:-67.1804
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:2.56
LogP (Chemaxon):1.16

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Descriptor Annotations

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