Chemical ID: 5988215

CCCCCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)C
Chemical ID:
5988215
Name [?]:
(4-pentylphenyl)-[4-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)C
InChi [?]:
InChI=1/C26H31N3O2/c1-3-4-5-6-20-9-13-23(14-10-20)26(30)29-17-15-22(16-18-29)25-27-24(28-31-25)21-11-7-19(2)8-12-21/h7-14,22H,3-6,15-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,3,4,5,27,29,7,11,26,30,8,10,16,18,15,19,28,6,25,17,9,22,20,12,21,23,14,13,24/E:(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:31nCCCCCCCCCCCCONCCCCCCNCNOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s14s18;s17;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:14.8822
Area:697.792
Solvation:-2.56257
Coulombic:-32.686
Bond Count [?]
All:34
Single:25
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:417.543
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.0
LogP (Chemaxon):6.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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