Chemical ID: 6145600

CCN(CC)c1ccc(cc1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)OCC
Chemical ID:
6145600
Name [?]:
ethyl 6-(4-diethylaminophenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
SMILES [?]:
CCN(CC)c1ccc(cc1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H24F3N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:3
ZAP Information [?]
Total:10.7493
Area:579.19
Solvation:-3.73041
Coulombic:-85.5139
Bond Count [?]
All:29
Single:24
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:419.463
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.25
LogP (Chemaxon):4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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