Chemical ID: 5988349

CCc1ccc(cc1)C(=O)N2CCCC(C2)c3nc(no3)c4cccc(c4)Cl
Chemical ID:
5988349
Name [?]:
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(4-ethylphenyl)-methanone
SMILES [?]:
CCc1ccc(cc1)C(=O)N2CCCC(C2)c3nc(no3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C22H22ClN3O2/c1-2-15-8-10-16(11-9-15)22(27)26-12-4-6-18(14-26)21-24-20(25-28-21)17-5-3-7-19(23)13-17/h3,5,7-11,13,18H,2,4,6,12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,24,13,23,14,25,4,8,5,7,12,27,16,3,6,22,15,26,19,17,9,28,18,20,11,10,21/E:(8,9)(10,11)/rA:28cCCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s15;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22ClN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.4072
Area:631.044
Solvation:-2.36884
Coulombic:-32.21
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.882
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.47
LogP (Chemaxon):5.0

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Descriptor Annotations

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