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Chemical ID: 5410103
Chemical ID:
5410103
Name [?]:
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-fluorophenyl)-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)F)C
InChi [?]:
InChI=1/C14H14FN3OS/c1-9-6-10(2)17-14(16-9)20-8-13(19)18-12-5-3-4-11(15)7-12/h3-7H,8H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,15,16,14,3,18,9,2,4,17,13,10,6,19,7,5,12,11,8/E:(1,2)(9,10)(16,17)/rA:20nCCCCNCNSCCONCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14FN3OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41906 |
Area: | 485.788 |
Solvation: | -3.72564 |
Coulombic: | -34.1764 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.345 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.82 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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