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Chemical ID: 5511026
Chemical ID:
5511026
Name [?]:
N-(2-chloro-4-fluoro-phenyl)-2-[4-(4-fluorophenyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
c1cc(ccc1c2csc(n2)SCC(=O)Nc3ccc(cc3Cl)F)F
InChi [?]:
InChI=1/C17H11ClF2N2OS2/c18-13-7-12(20)5-6-14(13)21-16(23)9-25-17-22-15(8-24-17)10-1-3-11(19)4-2-10/h1-8H,9H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,19,18,21,8,13,6,3,20,22,17,7,14,10,23,25,24,16,11,15,9,12/E:(1,2)(3,4)/rA:25nCCCCCCCCSCNSCCONCCCCCCClFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11ClF2N2OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1128 |
Area: | 582.53 |
Solvation: | -4.45043 |
Coulombic: | -34.5089 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 396.864 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.65 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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