Chemical ID: 6652002

Cc1cc(c(c(c1)C)C=NNC(=O)CNC(=O)c2cc(c(c(c2)OC)OC)OC)C
Chemical ID:
6652002
Name [?]:
3,4,5-trimethoxy-N-[(2,4,6-trimethylphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
Cc1cc(c(c(c1)C)C=NNC(=O)CNC(=O)c2cc(c(c(c2)OC)OC)OC)C
InChi [?]:
InChI=1/C22H27N3O5/c1-13-7-14(2)17(15(3)8-13)11-24-25-20(26)12-23-22(27)16-9-18(28-4)21(30-6)19(10-16)29-5/h7-11H,12H2,1-6H3,(H,23,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,8,30,25,29,27,7,3,23,19,9,14,2,6,4,18,5,22,20,12,21,16,15,10,11,13,17,24,28,26/E:(2,3)(4,5)(7,8)(9,10)(14,15)(18,19)(28,29)/rA:30nCCCCCCCCCNNCOCNCOCCCCCCOCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s20;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.39199
Area:659.741
Solvation:-8.10153
Coulombic:-60.9872
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:413.467
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.82
LogP (Chemaxon):2.81

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Descriptor Annotations

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