Chemical ID: 5988532

COc1ccc(c(c1)OC)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Cl
Chemical ID:
5988532
Name [?]:
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(2,4-dimethoxyphenyl)-methanone
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H22ClN3O4/c1-28-17-7-8-18(19(13-17)29-2)22(27)26-11-9-15(10-12-26)21-24-20(25-30-21)14-3-5-16(23)6-4-14/h3-8,13,15H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,25,29,26,28,4,5,15,17,14,18,8,24,16,27,3,6,7,21,19,11,30,20,22,13,12,2,9,23/E:(3,4)(5,6)(9,10)(11,12)/rA:30nCOCCCCCCOCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;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:10.6258
Area:656.138
Solvation:-5.77765
Coulombic:-43.4549
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

Name Annotations

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Descriptor Annotations

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