Chemical ID: 6482819

CCNC(=O)N1CCC(CC1)c2nc(no2)c3ccc(cc3)S(=O)(=O)C
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

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Descriptor Annotations

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