Chemical ID: 5989662

Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)c3nc(no3)c4ccccc4)C
Chemical ID:
5989662
Name [?]:
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine
SMILES [?]:
Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)c3nc(no3)c4ccccc4)C
InChi [?]:
InChI=1/C22H25N3O3S/c1-15-13-16(2)20(17(3)14-15)29(26,27)25-11-9-19(10-12-25)22-23-21(24-28-22)18-7-5-4-6-8-18/h4-8,13-14,19H,9-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,29,26,25,27,24,28,14,16,13,17,7,3,2,6,4,23,15,5,20,18,19,21,12,10,11,22,9/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(26,27)/CRV:29.6/rA:29nCCCCCCCCSOONCCCCCCNCNOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;s14;s15;s12s16;s15;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.5733
Area:611.488
Solvation:-2.71388
Coulombic:-21.2294
Bond Count [?]
All:32
Single:22
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:411.518
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.38
LogP (Chemaxon):4.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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