Chemical ID: 6141231

c1cc(sc1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)c3cccs3
Chemical ID:
6141231
Name [?]:
[4-hydroxy-6-(2-thienyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-(2-thienyl)methanone
SMILES [?]:
c1cc(sc1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)c3cccs3
InChi [?]:
InChI=1/C14H11F3N2O2S3/c15-14(16,17)13(21)9(11(20)8-4-2-6-24-8)10(18-12(22)19-13)7-3-1-5-23-7/h1-6,9-10,21H,(H2,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,5,23,3,20,7,6,18,10,8,13,14,15,16,12,9,19,17,11,4,24/E:(15,16,17)/rA:24cCCCSCCCCNCSNCFFFOCOCCCCS/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;d10;s6s10;s8;s13;s13;s13;s8;s7;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11F3N2O2S3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:8.85458
Area:495.676
Solvation:-3.53733
Coulombic:-69.7179
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:392.443
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.48
LogP (Chemaxon):3.12

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Descriptor Annotations

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