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Chemical ID: 6482819
Chemical ID:
6482819
Name [?]:
N-ethyl-4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidine-1-carboxamide
SMILES [?]:
CCNC(=O)N1CCC(CC1)c2nc(no2)c3ccc(cc3)S(=O)(=O)C
InChi [?]:
InChI=1/C17H22N4O4S/c1-3-18-17(22)21-10-8-13(9-11-21)16-19-15(20-25-16)12-4-6-14(7-5-12)26(2,23)24/h4-7,13H,3,8-11H2,1-2H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,26,2,18,22,19,21,8,10,7,11,17,9,20,14,12,4,3,13,15,6,5,24,25,16,23/E:(4,5)(6,7)(8,9)(10,11)(23,24)/CRV:26.6/rA:26nCCNCONCCCCCCNCNOCCCCCCSOOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;d23;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N4O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6049 |
Area: | 597.689 |
Solvation: | -4.33735 |
Coulombic: | -43.8663 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 378.447 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.82 |
LogP (Chemaxon): | 0.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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