Chemical ID: 5863394

COc1ccc(c(c1OC)OC)CNCCNC(=O)c2cc(c(c(c2)OC)OC)OC
Chemical ID:
5863394
Name [?]:
3,4,5-trimethoxy-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]benzamide
SMILES [?]:
COc1ccc(c(c1OC)OC)CNCCNC(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C22H30N2O7/c1-26-16-8-7-14(19(29-4)21(16)31-6)13-23-9-10-24-22(25)15-11-17(27-2)20(30-5)18(12-15)28-3/h7-8,11-12,23H,9-10,13H2,1-6H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,31,12,29,10,5,4,15,16,25,21,13,6,20,3,24,22,7,23,8,18,14,17,19,2,26,30,11,28,9/E:(2,3)(11,12)(17,18)(27,28)/rA:31nCOCCCCCCOCOCCNCCNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s6;s13;s14;s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s22;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N2O7
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:6.86469
Area:695.946
Solvation:-10.534
Coulombic:-73.5326
Bond Count [?]
All:32
Single:25
Double:7
Rotors:13
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:434.483
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:1.44
LogP (Chemaxon):0.82

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Descriptor Annotations

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