Chemical ID: 5988526

COc1cc(cc(c1)OC)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Cl
Chemical ID:
5988526
Name [?]:
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(3,5-dimethoxyphenyl)-methanone
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H22ClN3O4/c1-28-18-11-16(12-19(13-18)29-2)22(27)26-9-7-15(8-10-26)21-24-20(25-30-21)14-3-5-17(23)6-4-14/h3-6,11-13,15H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,25,29,26,28,15,17,14,18,4,6,8,24,16,5,27,3,7,21,19,11,30,20,22,13,12,2,9,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22ClN3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.1836
Area:655.837
Solvation:-5.21232
Coulombic:-43.5991
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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