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Chemical ID: 5192977
Chemical ID:
5192977
Name [?]:
(2-methoxyphenyl)-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4ccccc4OC
InChi [?]:
InChI=1/C22H23N3O4/c1-27-17-11-9-15(10-12-17)20-23-21(29-24-20)16-6-5-13-25(14-16)22(26)18-7-3-4-8-19(18)28-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,24,25,16,15,23,26,5,7,4,8,17,19,6,14,3,22,27,9,11,20,10,13,18,21,2,28,12/E:(9,10)(11,12)/rA:29cCOCCCCCCCNCONCCCCNCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.84206 |
Area: | 617.873 |
Solvation: | -5.60476 |
Coulombic: | -43.9733 |
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): | 3.11 |
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.
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