Chemical ID: 6145604

CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)c2cccs2
Chemical ID:
6145604
Name [?]:
ethyl 4-hydroxy-6-(2-thienyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
SMILES [?]:
CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)c2cccs2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H13F3N2O3S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:8.27926
Area:470.163
Solvation:-3.47481
Coulombic:-78.9511
Bond Count [?]
All:23
Single:19
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.371
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.26
LogP (Chemaxon):2.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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