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Chemical ID: 6032194
Chemical ID:
6032194
Name [?]:
N-[2-(benzylcarbamoyl)ethyl]-N-(2-furylmethyl)furan-3-carboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)CCN(Cc2ccco2)C(=O)c3ccoc3
InChi [?]:
InChI=1/C20H20N2O4/c23-19(21-13-16-5-2-1-3-6-16)8-10-22(14-18-7-4-11-26-18)20(24)17-9-12-25-15-17/h1-7,9,11-12,15H,8,10,13-14H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,3,5,16,11,23,12,18,24,7,14,26,4,22,15,9,20,8,13,10,21,25,19/E:(2,3)(5,6)/rA:26nCCCCCCCNCOCCNCCCCCOCOCCCOC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;s15s18;s13;d20;s20;s22;d23;s24;d22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75482 |
Area: | 583.402 |
Solvation: | -4.83023 |
Coulombic: | -51.439 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 352.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.62 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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