Chemical ID: 3860789

COc1ccc(c(c1)c2csc(n2)NC(=O)C(F)(F)F)OC
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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