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Chemical ID: 5988734
Chemical ID:
5988734
Name [?]:
(4-butylphenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)F
InChi [?]:
InChI=1/C24H26FN3O2/c1-2-3-6-17-8-10-19(11-9-17)24(29)28-16-5-4-7-21(28)23-26-22(27-30-23)18-12-14-20(25)15-13-18/h8-15,21H,2-7,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,16,15,4,17,6,10,7,9,25,29,26,28,14,5,24,8,27,18,21,19,11,30,20,22,13,12,23/E:(8,9)(10,11)(12,13)(14,15)/rA:30cCCCCCCCCCCCONCCCCCCNCNOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s13s17;s18;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26FN3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.259 |
Area: | 634.347 |
Solvation: | -3.59965 |
Coulombic: | -35.8377 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 407.481 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.59 |
LogP (Chemaxon): | 5.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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