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Chemical ID: 5599960
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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