Chemical ID: 7325372

Cc1ccc(cc1C)c2nnc(o2)SCC(=O)NC(=O)NC(C)C
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

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Descriptor Annotations

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