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Chemical ID: 6179306
Chemical ID:
6179306
Name [?]:
N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2nnc(s2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C16H11Cl2N3O2S/c17-10-6-7-12(13(18)8-10)15-20-21-16(24-15)19-14(22)9-23-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,18,21,8,20,4,17,22,9,15,12,24,23,11,14,13,10,7,16/E:(2,3)(4,5)/rA:24nCCCCCCOCCONCNNCSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11Cl2N3O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15333 |
Area: | 583.568 |
Solvation: | -5.43586 |
Coulombic: | -33.3233 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 380.249 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.11 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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