Chemical ID: 4735907

CCOC(=O)c1c(nc(s1)c2cccc(c2)C(F)(F)F)O
Chemical ID:
4735907
Name [?]:
ethyl 4-hydroxy-2-[3-(trifluoromethyl)phenyl]-thiazole-5-carboxylate
SMILES [?]:
CCOC(=O)c1c(nc(s1)c2cccc(c2)C(F)(F)F)O
InChi [?]:
InChI=1/C13H10F3NO3S/c1-2-20-12(19)9-10(18)17-11(21-9)7-4-3-5-8(6-7)13(14,15)16/h3-6,18H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,16,11,15,6,7,9,4,17,18,19,20,8,21,5,3,10/E:(14,15,16)/rA:21nCCOCOCCNCSCCCCCCCFFFO/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s15;s17;s17;s17;s7;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10F3NO3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.61299
Area:477.313
Solvation:-3.31982
Coulombic:-61.5515
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.285
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.51
LogP (Chemaxon):4.27

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Descriptor Annotations

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