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Chemical ID: 5988662
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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