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Chemical ID: 5860226
Chemical ID:
5860226
Name [?]:
3,4-dimethoxy-N-[(2-propoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
CCCOc1ccccc1C=NNC(=O)CNC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C21H25N3O5/c1-4-11-29-17-8-6-5-7-16(17)13-23-24-20(25)14-22-21(26)15-9-10-18(27-2)19(12-15)28-3/h5-10,12-13H,4,11,14H2,1-3H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,29,27,2,8,7,9,6,21,22,3,25,11,16,20,10,5,23,24,14,18,17,12,13,15,19,28,26,4/rA:29nCCCOCCCCCCCNNCOCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.42988 |
Area: | 664.221 |
Solvation: | -8.17564 |
Coulombic: | -61.8259 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 399.44 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.42 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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