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Chemical ID: 5510249
Chemical ID:
5510249
Name [?]:
N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)CSc2nc(cs2)c3ccc(cc3)F)C
InChi [?]:
InChI=1/C19H17FN2OS2/c1-12-4-3-5-13(2)18(12)22-17(23)11-25-19-21-16(10-24-19)14-6-8-15(20)9-7-14/h3-10H,11H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,4,3,5,19,23,20,22,16,11,2,6,18,21,15,9,7,13,24,14,8,10,17,12/E:(1,2)(4,5)(6,7)(8,9)(12,13)/rA:25nCCCCCCCNCOCSCNCCSCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17FN2OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3862 |
Area: | 577.975 |
Solvation: | -4.06319 |
Coulombic: | -30.8124 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.482 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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