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Chemical ID: 5988644
Chemical ID:
5988644
Name [?]:
2-phenyl-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-butan-1-one
SMILES [?]:
CCC(c1ccccc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccccc4
InChi [?]:
InChI=1/C23H25N3O2/c1-2-20(17-9-5-3-6-10-17)23(27)26-15-13-19(14-16-26)22-24-21(25-28-22)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,26,6,8,25,27,5,9,24,28,14,16,13,17,4,23,15,3,20,18,10,19,21,12,11,22/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:28cCCCCCCCCCCONCCCCCCNCNOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.256 |
Area: | 604.504 |
Solvation: | -2.85662 |
Coulombic: | -31.3079 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 375.464 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.55 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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