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Chemical ID: 5384131
Chemical ID:
5384131
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
c1cc(ccc1c2csc(n2)SCC(=O)Nc3ccc(c(c3)Cl)F)Cl
InChi [?]:
InChI=1/C17H11Cl2FN2OS2/c18-11-3-1-10(2-4-11)15-8-24-17(22-15)25-9-16(23)21-12-5-6-14(20)13(19)7-12/h1-8H,9H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,18,19,22,8,13,6,3,17,21,20,7,14,10,25,23,24,16,11,15,9,12/E:(1,2)(3,4)/rA:25nCCCCCCCCSCNSCCONCCCCCCClFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11Cl2FN2OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4476 |
Area: | 614.238 |
Solvation: | -3.90839 |
Coulombic: | -31.4401 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 413.318 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.11 |
LogP (Chemaxon): | 5.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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