Chemical ID: 5988662

CCCCCCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccccc4
Chemical ID:
5988662
Name [?]:
(4-hexylphenyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-methanone
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccccc4
InChi [?]:
InChI=1/C26H31N3O2/c1-2-3-4-6-9-20-12-14-23(15-13-20)26(30)29-18-16-22(17-19-29)25-27-24(28-31-25)21-10-7-5-8-11-21/h5,7-8,10-15,22H,2-4,6,9,16-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,29,5,28,30,6,27,31,8,12,9,11,17,19,16,20,7,26,18,10,23,21,13,22,24,15,14,25/E:(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:31nCCCCCCCCCCCCCONCCCCCCNCNOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s15s19;s18;d21;s22;d23;s21s24;s23;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:15.0463
Area:704.982
Solvation:-2.57827
Coulombic:-33.2402
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:417.543
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.13
LogP (Chemaxon):5.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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