Chemical ID: 7324824

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

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Descriptor Annotations

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