Chemical ID: 5994979

COc1cccc(c1C(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Cl)OC
Chemical ID:
5994979
Name [?]:
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(2,6-dimethoxyphenyl)-methanone
SMILES [?]:
COc1cccc(c1C(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Cl)OC
InChi [?]:
InChI=1/C22H22ClN3O4/c1-28-17-6-3-7-18(29-2)19(17)22(27)26-12-4-5-15(13-26)21-24-20(25-30-21)14-8-10-16(23)11-9-14/h3,6-11,15H,4-5,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,5,13,14,4,6,23,27,24,26,12,16,22,15,25,3,7,8,19,17,9,28,18,20,11,10,2,29,21/E:(1,2)(6,7)(8,9)(10,11)(17,18)(28,29)/rA:30cCOCCCCCCCONCCCCCCNCNOCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;s7;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22ClN3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.6633
Area:648.284
Solvation:-5.54382
Coulombic:-44.5154
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:427.881
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.4
LogP (Chemaxon):3.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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