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Chemical ID: 5988809
Chemical ID:
5988809
Name [?]:
(2-methoxyphenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4ccccc4OC
InChi [?]:
InChI=1/C22H23N3O4/c1-27-17-9-5-7-15(13-17)20-23-21(29-24-20)16-8-6-12-25(14-16)22(26)18-10-3-4-11-19(18)28-2/h3-5,7,9-11,13,16H,6,8,12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,24,25,5,16,6,15,4,23,26,17,8,19,7,14,3,22,27,9,11,20,10,13,18,21,2,28,12/rA:29cCOCCCCCCCNCONCCCCNCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;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: | 9.79832 |
Area: | 616.248 |
Solvation: | -5.60787 |
Coulombic: | -43.9242 |
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
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