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Chemical ID: 5498771
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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