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Chemical ID: 5988287
Chemical ID:
5988287
Name [?]:
(4-methoxyphenyl)-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C22H23N3O4/c1-27-18-7-3-15(4-8-18)20-23-21(29-24-20)16-11-13-25(14-12-16)22(26)17-5-9-19(28-2)10-6-17/h3-10,16H,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,5,7,23,27,4,8,24,26,15,19,16,18,6,14,22,3,25,9,11,20,10,13,17,21,2,28,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCOCCCCCCCNCONCCCNCCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2687 |
Area: | 622.518 |
Solvation: | -5.29427 |
Coulombic: | -43.9327 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 393.436 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.78 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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