Chemical ID: 5599960

COc1ccc(cc1)C=NNC(=O)CNC(=O)c2cc(c(c(c2)OC)OC)OC
Chemical ID:
5599960
Name [?]:
3,4,5-trimethoxy-N-[(4-methoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
COc1ccc(cc1)C=NNC(=O)CNC(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C20H23N3O6/c1-26-15-7-5-13(6-8-15)11-22-23-18(24)12-21-20(25)14-9-16(27-2)19(29-4)17(10-14)28-3/h5-11H,12H2,1-4H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,29,27,5,7,4,8,23,19,9,14,6,18,3,22,20,12,21,16,15,10,11,13,17,2,24,28,26/E:(2,3)(5,6)(7,8)(9,10)(16,17)(27,28)/rA:29nCOCCCCCCCNNCOCNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;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:6.27553
Area:641.66
Solvation:-9.76598
Coulombic:-67.3266
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:2.42
LogP (Chemaxon):1.16

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Descriptor Annotations

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