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Chemical ID: 6182209
Chemical ID:
6182209
Name [?]:
N-[(2-ethoxyphenyl)methyleneaminocarbamoylmethyl]-3,5-dimethoxy-benzamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)CNC(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C20H23N3O5/c1-4-28-18-8-6-5-7-14(18)12-22-23-19(24)13-21-20(25)15-9-16(26-2)11-17(10-15)27-3/h5-12H,4,13H2,1-3H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,26,28,2,7,6,8,5,24,20,22,10,15,9,19,23,21,4,13,17,16,11,12,14,18,25,27,3/E:(2,3)(9,10)(16,17)(26,27)/rA:28nCCOCCCCCCCNNCOCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s21;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4155 |
Area: | 636.895 |
Solvation: | -7.50687 |
Coulombic: | -61.186 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 385.414 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.33 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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