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Chemical ID: 7325370
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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Experimental Annotations
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Descriptor Annotations
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