Chemical ID: 7140916

c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2)F
Chemical ID:
7140916
Name [?]:
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(2-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2)F
InChi [?]:
InChI=1/C17H9ClF4N2OS/c18-12-6-5-10(8-11(12)17(20,21)22)23-16-24-15(25)14(26-16)7-9-3-1-2-4-13(9)19/h1-8H,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,16,7,19,5,14,18,17,4,8,9,12,20,24,26,21,22,23,13,11,10,25/E:(20,21,22)/rA:26nCCCCCCCCCONCNCCCCCCCFFFClSF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H9ClF4N2OS
All Atoms:35
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.89347
Area:540.187
Solvation:-3.61119
Coulombic:-51.0407
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:400.779
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.8
LogP (Chemaxon):5.89

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