Chemical ID: 7325370

Cc1ccc(cc1C)c2nnc(o2)SCC(=O)NC(C)(C)C
Chemical ID:
7325370
Name [?]:
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-tert-butyl-acetamide
SMILES [?]:
Cc1ccc(cc1C)c2nnc(o2)SCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C16H21N3O2S/c1-10-6-7-12(8-11(10)2)14-18-19-15(21-14)22-9-13(20)17-16(3,4)5/h6-8H,9H2,1-5H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,8,20,21,22,3,4,6,15,2,7,5,16,9,12,19,18,10,11,17,13,14/E:(3,4,5)/rA:22nCCCCCCCCCNNCOSCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s9s12;s12;s14;s15;d16;s16;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N3O2S
All Atoms:43
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.3627
Area:543.754
Solvation:-2.2312
Coulombic:-36.5084
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:319.423
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.72
LogP (Chemaxon):2.84

Name Annotations

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Descriptor Annotations

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