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Chemical ID: 5988103
Chemical ID:
5988103
Name [?]:
(4-ethylphenyl)-[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
CCc1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4cccc(c4)C
InChi [?]:
InChI=1/C23H25N3O2/c1-3-17-10-12-18(13-11-17)23(27)26-14-5-4-9-20(26)22-24-21(25-28-22)19-8-6-7-16(2)15-19/h6-8,10-13,15,20H,3-5,9,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,14,13,24,25,23,15,4,8,5,7,12,27,26,3,6,22,16,19,17,9,18,20,11,10,21/E:(10,11)(12,13)/rA:28cCCCCCCCCCONCCCCCCNCNOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1093 |
Area: | 595.966 |
Solvation: | -2.7898 |
Coulombic: | -32.1673 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 375.464 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.72 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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