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Chemical ID: 5988781
Chemical ID:
5988781
Name [?]:
[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(p-tolyl)methanone
SMILES [?]:
Cc1ccc(cc1)C(=O)N2CCCC(C2)c3nc(no3)c4cccc(c4)OC
InChi [?]:
InChI=1/C22H23N3O3/c1-15-8-10-16(11-9-15)22(26)25-12-4-6-18(14-25)21-23-20(24-28-21)17-5-3-7-19(13-17)27-2/h3,5,7-11,13,18H,4,6,12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,23,12,22,13,24,3,7,4,6,11,26,15,2,5,21,14,25,18,16,8,17,19,10,9,27,20/E:(8,9)(10,11)/rA:28cCCCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4639 |
Area: | 609.036 |
Solvation: | -3.76203 |
Coulombic: | -37.9514 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 377.436 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.3 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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