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Chemical ID: 5988534
Chemical ID:
5988534
Name [?]:
(4-butylphenyl)-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C24H26ClN3O2/c1-2-3-4-17-5-7-20(8-6-17)24(29)28-15-13-19(14-16-28)23-26-22(27-30-23)18-9-11-21(25)12-10-18/h5-12,19H,2-4,13-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,6,10,7,9,25,29,26,28,15,17,14,18,5,24,16,8,27,21,19,11,30,20,22,13,12,23/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:30nCCCCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26ClN3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5624 |
Area: | 686.811 |
Solvation: | -2.60788 |
Coulombic: | -32.5588 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 423.935 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.61 |
LogP (Chemaxon): | 5.65 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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