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Chemical ID: 5526891
Chemical ID:
5526891
Name [?]:
N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
c1cc(ccc1c2csc(n2)SCC(=O)Nc3ccc(cc3)Cl)F
InChi [?]:
InChI=1/C17H12ClFN2OS2/c18-12-3-7-14(8-4-12)20-16(22)10-24-17-21-15(9-23-17)11-1-5-13(19)6-2-11/h1-9H,10H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,19,21,2,4,18,22,8,13,6,20,3,17,7,14,10,23,24,16,11,15,9,12/E:(1,2)(3,4)(5,6)(7,8)/rA:24nCCCCCCCCSCNSCCONCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12ClFN2OS2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6178 |
Area: | 581.363 |
Solvation: | -3.91627 |
Coulombic: | -31.319 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 378.873 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.49 |
LogP (Chemaxon): | 5.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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