Chemical ID: 5498771

c1ccc(c(c1)NC(=O)CSc2nc(cs2)c3ccc(cc3)F)I
Chemical ID:
5498771
Name [?]:
2-[4-(4-fluorophenyl)thiazol-2-yl]sulfanyl-N-(2-iodophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CSc2nc(cs2)c3ccc(cc3)F)I
InChi [?]:
InChI=1/C17H12FIN2OS2/c18-12-7-5-11(6-8-12)15-9-23-17(21-15)24-10-16(22)20-14-4-2-1-3-13(14)19/h1-9H,10H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,18,22,19,21,15,10,17,20,4,5,14,8,12,23,24,7,13,9,16,11/E:(5,6)(7,8)/rA:24nCCCCCCNCOCSCNCCSCCCCCCFI/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12FIN2OS2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.0445
Area:586.877
Solvation:-3.62743
Coulombic:-31.6091
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:470.325
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.93
LogP (Chemaxon):5.28

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