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Chemical ID: 3860789
Chemical ID:
3860789
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-2,2,2-trifluoro-acetamide
SMILES [?]:
COc1ccc(c(c1)c2csc(n2)NC(=O)C(F)(F)F)OC
InChi [?]:
InChI=1/C13H11F3N2O3S/c1-20-7-3-4-10(21-2)8(5-7)9-6-22-12(17-9)18-11(19)13(14,15)16/h3-6H,1-2H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,4,5,8,10,3,7,9,6,15,12,17,18,19,20,13,14,16,2,21,11/E:(14,15,16)/rA:22nCOCCCCCCCCSCNNCOCFFFOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s17;s17;s6;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11F3N2O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.71706 |
Area: | 483.35 |
Solvation: | -5.36668 |
Coulombic: | -60.8239 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 332.299 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.64 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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