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Chemical ID: 7324558
Chemical ID:
7324558
Name [?]:
2-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(tert-butylcarbamoyl)acetamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(o2)SCC(=O)NC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C16H20N4O3S/c1-10-5-7-11(8-6-10)13-19-20-15(23-13)24-9-12(21)17-14(22)18-16(2,3)4/h5-8H,9H2,1-4H3,(H2,17,18,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,3,7,4,6,14,2,5,15,8,18,11,21,17,20,9,10,16,19,12,13/E:(2,3,4)(5,6)(7,8)/rA:24nCCCCCCCCNNCOSCCONCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;s14;d15;s15;s17;d18;s18;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N4O3S |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2193 |
Area: | 576.894 |
Solvation: | -4.20306 |
Coulombic: | -56.6787 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 348.421 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.38 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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