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Chemical ID: 7325372
Chemical ID:
7325372
Name [?]:
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(isopropylcarbamoyl)acetamide
SMILES [?]:
Cc1ccc(cc1C)c2nnc(o2)SCC(=O)NC(=O)NC(C)C
InChi [?]:
InChI=1/C16H20N4O3S/c1-9(2)17-15(22)18-13(21)8-24-16-20-19-14(23-16)12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3,(H2,17,18,21,22)
InChi Info:
AuxInfo=1/1/N:23,24,1,8,3,4,6,15,22,2,7,5,16,9,19,12,21,18,10,11,17,20,13,14/E:(1,2)/rA:24nCCCCCCCCCNNCOSCCONCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s9s12;s12;s14;s15;d16;s16;s18;d19;s19;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N4O3S |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3186 |
Area: | 584.741 |
Solvation: | -4.29989 |
Coulombic: | -56.3389 |
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: | 4.4 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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