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Chemical ID: 7324824
Chemical ID:
7324824
Name [?]:
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(isobutylcarbamoyl)acetamide
SMILES [?]:
Cc1ccc(cc1C)c2nnc(o2)SCC(=O)NC(=O)NCC(C)C
InChi [?]:
InChI=1/C17H22N4O3S/c1-10(2)8-18-16(23)19-14(22)9-25-17-21-20-15(24-17)13-6-5-11(3)12(4)7-13/h5-7,10H,8-9H2,1-4H3,(H2,18,19,22,23)
InChi Info:
AuxInfo=1/1/N:24,25,1,8,3,4,6,22,15,23,2,7,5,16,9,19,12,21,18,10,11,17,20,13,14/E:(1,2)/rA:25nCCCCCCCCCNNCOSCCONCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s9s12;s12;s14;s15;d16;s16;s18;d19;s19;s21;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N4O3S |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9723 |
Area: | 611.615 |
Solvation: | -4.31805 |
Coulombic: | -56.873 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 362.448 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.59 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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