Chemical ID: 5510249

Cc1cccc(c1NC(=O)CSc2nc(cs2)c3ccc(cc3)F)C
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

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