Chemical ID: 5988486

COc1cc(cc(c1)OC)C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl
Chemical ID:
5988486
Name [?]:
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(3,5-dimethoxyphenyl)-methanone
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H22ClN3O4/c1-28-17-11-15(12-18(13-17)29-2)22(27)26-10-4-3-5-19(26)21-24-20(25-30-21)14-6-8-16(23)9-7-14/h6-9,11-13,19H,3-5,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,15,17,25,29,26,28,14,4,6,8,24,5,27,3,7,18,21,19,11,30,20,22,13,12,2,9,23/E:(1,2)(6,7)(8,9)(11,12)(17,18)(28,29)/rA:30cCOCCCCCCOCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;s15;s16;s13s17;s18;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:1
ZAP Information [?]
Total:10.4009
Area:630.046
Solvation:-5.35021
Coulombic:-44.0961
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:4.84
LogP (Chemaxon):3.9

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue