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Chemical ID: 5988262
Chemical ID:
5988262
Name [?]:
3-cyclopentyl-1-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-propan-1-one
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)CCC4CCCC4
InChi [?]:
InChI=1/C22H29N3O3/c1-27-18-12-10-17(11-13-18)21-23-22(28-24-21)19-8-4-5-15-25(19)20(26)14-9-16-6-2-3-7-16/h10-13,16,19H,2-9,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,27,16,17,25,28,15,23,5,7,4,8,22,18,24,6,3,14,20,9,11,10,13,19,21,2,12/E:(2,3)(6,7)(10,11)(12,13)/rA:28cCOCCCCCCCNCONCCCCCNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s19;d20;s20;s22;s23;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2474 |
Area: | 614.305 |
Solvation: | -4.11019 |
Coulombic: | -36.2167 |
Bond Count [?]
All: | 31 |
Single: | 25 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 383.484 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.28 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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