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Chemical ID: 6652002
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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