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Chemical ID: 5911163
Chemical ID:
5911163
Name [?]:
N-benzyl-N-(2-furylmethyl)-3,5-dimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)N(Cc2ccccc2)Cc3ccco3
InChi [?]:
InChI=1/C21H21NO4/c1-24-19-11-17(12-20(13-19)25-2)21(23)22(15-18-9-6-10-26-18)14-16-7-4-3-5-8-16/h3-13H,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,17,19,24,16,20,23,25,4,6,8,14,21,15,5,22,3,7,11,13,12,2,9,26/E:(1,2)(4,5)(7,8)(11,12)(19,20)(24,25)/rA:26nCOCCCCCCOCCONCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0768 |
Area: | 554.372 |
Solvation: | -5.78251 |
Coulombic: | -39.205 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 351.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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