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Chemical ID: 5861150
Chemical ID:
5861150
Name [?]:
N-[(2,4-dimethoxyphenyl)methyleneaminocarbamoylmethyl]-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C=NNC(=O)CNC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C20H23N3O6/c1-26-15-7-5-14(17(10-15)28-3)11-22-23-19(24)12-21-20(25)13-6-8-16(27-2)18(9-13)29-4/h5-11H,12H2,1-4H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,29,10,27,5,21,4,22,25,8,11,16,20,6,3,23,7,24,14,18,17,12,13,15,19,2,28,9,26/rA:29nCOCCCCCCOCCNNCOCNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O6 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.648 |
Area: | 647.655 |
Solvation: | -9.54339 |
Coulombic: | -67.1804 |
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: | 2.56 |
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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