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Chemical ID: 5988277
Chemical ID:
5988277
Name [?]:
(4-butylphenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)OC
InChi [?]:
InChI=1/C25H29N3O3/c1-3-4-7-18-9-11-20(12-10-18)25(29)28-17-6-5-8-22(28)24-26-23(27-31-24)19-13-15-21(30-2)16-14-19/h9-16,22H,3-8,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,3,16,15,4,17,6,10,7,9,25,29,26,28,14,5,24,8,27,18,21,19,11,20,22,13,12,30,23/E:(9,10)(11,12)(13,14)(15,16)/rA:31cCCCCCCCCCCCONCCCCCCNCNOCCCCCCOC/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;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29N3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5499 |
Area: | 665.685 |
Solvation: | -4.09218 |
Coulombic: | -39.1472 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 419.516 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.34 |
LogP (Chemaxon): | 5.29 |
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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