Chemical ID: 5988417

COc1cc(cc(c1)OC)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl
Chemical ID:
5988417
Name [?]:
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(3,5-dimethoxyphenyl)-methanone
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C22H22ClN3O4/c1-28-18-11-16(12-19(13-18)29-2)22(27)26-8-6-14(7-9-26)21-24-20(25-30-21)15-4-3-5-17(23)10-15/h3-5,10-14H,6-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,26,25,27,15,17,14,18,29,4,6,8,16,24,5,28,3,7,21,19,11,30,20,22,13,12,2,9,23/E:(1,2)(6,7)(8,9)(11,12)(18,19)(28,29)/rA:30nCOCCCCCCOCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22ClN3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.136
Area:654.295
Solvation:-5.2214
Coulombic:-43.5386
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):3.49

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Descriptor Annotations

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