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Chemical ID: 5988215
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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