Chemical ID: 5988450

CC(CC(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)Cl)CC(C)(C)C
Chemical ID:
5988450
Name [?]:
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3,5,5-trimethyl-hexan-1-one
SMILES [?]:
CC(CC(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)Cl)CC(C)(C)C
InChi [?]:
InChI=1/C22H30ClN3O2/c1-15(13-22(2,3)4)12-19(27)26-11-5-6-17(14-26)21-24-20(25-28-21)16-7-9-18(23)10-8-16/h7-10,15,17H,5-6,11-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,27,28,8,9,18,22,19,21,7,3,24,11,2,17,10,20,4,14,12,25,23,13,15,6,5,16/E:(2,3,4)(7,8)(9,10)/rA:28cCCCCONCCCCCCNCNOCCCCCCClCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s2;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30ClN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:13.7341
Area:648.062
Solvation:-2.46741
Coulombic:-30.3952
Bond Count [?]
All:30
Single:24
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:403.945
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.44
LogP (Chemaxon):5.32

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Descriptor Annotations

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