Chemical ID: 6241336

COc1cc(cc(c1)OC)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccccc4
Chemical ID:
6241336
Name [?]:
2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
COc1cc(cc(c1)OC)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccccc4
InChi [?]:
InChI=1/C21H18N4O4S2/c1-27-15-8-14(9-16(10-15)28-2)19-24-25-21(29-19)31-12-18(26)23-20-22-17(11-30-20)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,10,29,28,30,27,31,4,6,8,24,17,26,5,3,7,23,18,11,21,14,22,20,12,13,19,2,9,15,25,16/E:(1,2)(4,5)(6,7)(8,9)(15,16)(27,28)/rA:31nCOCCCCCCOCCNNCOSCCONCNCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s12;d13;s11s14;s14;s16;s17;d18;s18;s20;d21;s22;d23;s21s24;s23;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N4O4S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.4368
Area:699.094
Solvation:-6.04053
Coulombic:-55.1464
Bond Count [?]
All:34
Single:23
Double:11
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:454.524
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.78
LogP (Chemaxon):4.07

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Descriptor Annotations

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