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Chemical ID: 5405715
Chemical ID:
5405715
Name [?]:
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-chlorophenyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1ccc(c(c1)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccc(cc4)Cl)Cl
InChi [?]:
InChI=1/C19H12Cl2N4O2S2/c20-12-7-5-11(6-8-12)15-9-28-18(22-15)23-16(26)10-29-19-25-24-17(27-19)13-3-1-2-4-14(13)21/h1-9H,10H2,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,23,27,24,26,20,13,22,25,5,4,19,14,7,17,10,28,29,18,16,8,9,15,11,21,12/E:(5,6)(7,8)/rA:29nCCCCCCCNNCOSCCONCNCCSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12Cl2N4O2S2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6537 |
Area: | 682.277 |
Solvation: | -3.40318 |
Coulombic: | -43.2772 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 463.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.2 |
LogP (Chemaxon): | 5.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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