Chemical ID: 4864338

c1ccnc(c1)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(F)(F)F
Chemical ID:
4864338
Name [?]:
5-(2-pyridylmethylene)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-thiazolidin-4-one
SMILES [?]:
c1ccnc(c1)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C16H9F3N2OS2/c17-16(18,19)10-4-3-6-12(8-10)21-14(22)13(24-15(21)23)9-11-5-1-2-7-20-11/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,17,18,6,16,3,20,7,19,5,15,8,9,12,21,22,23,24,4,11,10,13,14/E:(17,18,19)/rA:24nCCCNCCCCCONCSSCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9F3N2OS2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.60189
Area:508.567
Solvation:-3.11229
Coulombic:-41.0629
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:366.383
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.16
LogP (Chemaxon):4.33

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