Chemical ID: 5387479

Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3cc(ccc3C)F
Chemical ID:
5387479
Name [?]:
N-(5-fluoro-2-methyl-phenyl)-2-[4-(p-tolyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3cc(ccc3C)F
InChi [?]:
InChI=1/C19H17FN2OS2/c1-12-3-6-14(7-4-12)17-10-24-19(22-17)25-11-18(23)21-16-9-15(20)8-5-13(16)2/h3-10H,11H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,3,7,22,4,6,21,19,9,14,2,23,5,20,18,8,15,11,25,17,12,16,10,13/E:(3,4)(6,7)/rA:25nCCCCCCCCCSCNSCCONCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17FN2OS2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.868
Area:586.619
Solvation:-3.79747
Coulombic:-31.1227
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:4.53
LogP (Chemaxon):5.23

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Descriptor Annotations

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