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Chemical ID: 5830053
Chemical ID:
5830053
Name [?]:
1-[(3-benzyloxyphenyl)methyl]-N-(2-furylmethyl)piperidine-4-carboxamide
SMILES [?]:
c1ccc(cc1)COc2cccc(c2)CN3CCC(CC3)C(=O)NCc4ccco4
InChi [?]:
InChI=1/C25H28N2O3/c28-25(26-17-24-10-5-15-29-24)22-11-13-27(14-12-22)18-21-8-4-9-23(16-21)30-19-20-6-2-1-3-7-20/h1-10,15-16,22H,11-14,17-19H2,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,28,3,5,12,10,27,18,20,17,21,29,14,25,15,7,4,13,19,9,26,22,24,16,23,30,8/E:(2,3)(6,7)(11,12)(13,14)/rA:30nCCCCCCCOCCCCCCCNCCCCCCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s17;s18;s19;s16s20;s19;d22;s22;s24;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H28N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3799 |
Area: | 672.344 |
Solvation: | -5.42869 |
Coulombic: | -41.5779 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 404.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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