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Chemical ID: 5988223
Chemical ID:
5988223
Name [?]:
(4-butylphenyl)-[4-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)C
InChi [?]:
InChI=1/C25H29N3O2/c1-3-4-5-19-8-12-22(13-9-19)25(29)28-16-14-21(15-17-28)24-26-23(27-30-24)20-10-6-18(2)7-11-20/h6-13,21H,3-5,14-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,3,4,26,28,6,10,25,29,7,9,15,17,14,18,27,5,24,16,8,21,19,11,20,22,13,12,23/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:30nCCCCCCCCCCCONCCCCCCNCNOCCCCCCC/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: | C25H29N3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.2959 |
Area: | 674.437 |
Solvation: | -2.56503 |
Coulombic: | -32.3819 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 403.517 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.43 |
LogP (Chemaxon): | 5.6 |
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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