Chemical ID: 4099351

CCOC(=O)c1csc(n1)N2C(CC(=N2)c3ccc(cc3)O)(C(F)(F)F)O
Chemical ID:
4099351
Name [?]:
ethyl 2-[5-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]thiazole-4-carboxylate
SMILES [?]:
CCOC(=O)c1csc(n1)N2C(CC(=N2)c3ccc(cc3)O)(C(F)(F)F)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H14F3N3O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.63687
Area:574.459
Solvation:-4.72461
Coulombic:-84.839
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:401.361
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.47
LogP (Chemaxon):4.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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