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Chemical ID: 5988601
Chemical ID:
5988601
Name [?]:
3-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-propan-1-one
SMILES [?]:
c1ccc(cc1)CCC(=O)N2CCCCC2c3nc(no3)c4ccccc4
InChi [?]:
InChI=1/C22H23N3O2/c26-20(15-14-17-9-3-1-4-10-17)25-16-8-7-13-19(25)22-23-21(24-27-22)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,14,13,3,5,23,27,15,7,8,12,4,22,16,9,19,17,18,20,11,10,21/E:(3,4)(5,6)(9,10)(11,12)/rA:27cCCCCCCCCCONCCCCCCNCNOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5435 |
Area: | 584.564 |
Solvation: | -3.07061 |
Coulombic: | -30.8029 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.437 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.37 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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