Chemical ID: 5988044

Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Cc4ccccc4
Chemical ID:
5988044
Name [?]:
1-[3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-phenyl-ethanone
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Cc4ccccc4
InChi [?]:
InChI=1/C22H23N3O2/c1-16-7-5-10-18(13-16)21-23-22(27-24-21)19-11-6-12-25(15-19)20(26)14-17-8-3-2-4-9-17/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,4,15,3,23,27,5,14,16,7,21,18,2,22,6,13,19,8,10,9,12,17,20,11/E:(3,4)(8,9)/rA:27cCCCCCCCCNCONCCCCNCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.8686
Area:596.503
Solvation:-3.04402
Coulombic:-29.907
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:361.437
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.2
LogP (Chemaxon):4.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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