Chemical ID: 6241216

COc1ccc(cc1OC)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccccc4
Chemical ID:
6241216
Name [?]:
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
COc1ccc(cc1OC)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccccc4
InChi [?]:
InChI=1/C21H18N4O4S2/c1-27-16-9-8-14(10-17(16)28-2)19-24-25-21(29-19)31-12-18(26)23-20-22-15(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:1,10,29,28,30,27,31,5,4,7,24,17,26,6,23,3,8,18,11,21,14,22,20,12,13,19,2,9,15,25,16/E:(4,5)(6,7)/rA:31nCOCCCCCCOCCNNCOSCCONCNCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;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:10.6525
Area:696.974
Solvation:-6.77189
Coulombic:-55.3405
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:4.51
LogP (Chemaxon):4.07

Name Annotations

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Descriptor Annotations

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