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Chemical ID: 7397159
Chemical ID:
7397159
Name [?]:
N-benzyl-N-[(2-hydroxy-6-methyl-3-quinolyl)methyl]furan-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)cc(c(n2)O)CN(Cc3ccccc3)C(=O)c4ccco4
InChi [?]:
InChI=1/C23H20N2O3/c1-16-9-10-20-18(12-16)13-19(22(26)24-20)15-25(14-17-6-3-2-4-7-17)23(27)21-8-5-11-28-21/h2-13H,14-15H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,26,17,21,25,3,4,27,7,8,15,13,2,16,6,9,5,24,10,22,11,14,12,23,28/E:(3,4)(6,7)/rA:28nCCCCCCCCCCNOCNCCCCCCCCOCCCCO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s9;s13;s14;s15;s16;d17;s18;d19;d16s20;s14;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O3 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.766 |
Area: | 566.247 |
Solvation: | -3.39017 |
Coulombic: | -51.1059 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.55 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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