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Chemical ID: 5370306
Chemical ID:
5370306
Name [?]:
2-[4-(4-bromophenyl)thiazol-2-yl]sulfanyl-N-(4-fluoro-2-methyl-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)CSc2nc(cs2)c3ccc(cc3)Br)F
InChi [?]:
InChI=1/C18H14BrFN2OS2/c1-11-8-14(20)6-7-15(11)21-17(23)10-25-18-22-16(9-24-18)12-2-4-13(19)5-3-12/h2-9H,10H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,19,23,20,22,5,6,3,16,11,2,18,21,4,7,15,9,13,24,25,8,14,10,17,12/E:(2,3)(4,5)/rA:25nCCCCCCCNCOCSCNCCSCCCCCCBrF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14BrFN2OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0824 |
Area: | 592.183 |
Solvation: | -3.72218 |
Coulombic: | -31.0913 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 437.351 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.89 |
LogP (Chemaxon): | 5.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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