Chemical ID: 6145590

CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)c2cccc(c2)[N+](=O)[O-]
Chemical ID:
6145590
Name [?]:
ethyl 4-hydroxy-6-(3-nitrophenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
SMILES [?]:
CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H14F3N3O5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:3
ZAP Information [?]
Total:4.52447
Area:526.359
Solvation:-8.63451
Coulombic:-90.7935
Bond Count [?]
All:27
Single:21
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.339
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.96
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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