Chemical ID: 6141215

c1ccc(cc1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)c3cccs3
Chemical ID:
6141215
Name [?]:
[4-hydroxy-6-phenyl-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-(2-thienyl)methanone
SMILES [?]:
c1ccc(cc1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)c3cccs3
InChi [?]:
InChI=1/C16H13F3N2O2S2/c17-16(18,19)15(23)11(13(22)10-7-4-8-25-10)12(20-14(24)21-15)9-5-2-1-3-6-9/h1-8,11-12,23H,(H2,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,3,5,22,24,4,21,8,7,19,11,9,14,15,16,17,13,10,20,18,12,25/E:(2,3)(5,6)(17,18,19)/rA:25cCCCCCCCCCNCSNCFFFOCOCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s7s11;s9;s14;s14;s14;s9;s8;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13F3N2O2S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:8.95142
Area:488.688
Solvation:-3.26579
Coulombic:-70.6772
Bond Count [?]
All:27
Single:20
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.414
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.42
LogP (Chemaxon):3.7

Name Annotations

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Descriptor Annotations

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