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Chemical ID: 5507418
Chemical ID:
5507418
Name [?]:
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H17FN2OS2/c1-2-13-3-9-16(10-4-13)21-18(23)12-25-19-22-17(11-24-19)14-5-7-15(20)8-6-14/h3-11H,2,12H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,20,24,21,23,5,7,17,12,3,19,22,6,16,10,14,25,9,15,11,18,13/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCCCCCNCOCSCNCCSCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17FN2OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9228 |
Area: | 593.474 |
Solvation: | -3.91405 |
Coulombic: | -31.4132 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 372.482 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.77 |
LogP (Chemaxon): | 5.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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