Chemical ID: 7144177

c1cc(oc1)C=CC=C2C(=O)N(C(=O)S2)c3ccc(c(c3)C(F)(F)F)Cl
Chemical ID:
7144177
Name [?]:
3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-(2-furyl)prop-2-enylidene]thiazolidine-2,4-dione
SMILES [?]:
c1cc(oc1)C=CC=C2C(=O)N(C(=O)S2)c3ccc(c(c3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C17H9ClF3NO3S/c18-13-7-6-10(9-12(13)17(19,20)21)22-15(23)14(26-16(22)24)5-1-3-11-4-2-8-25-11/h1-9H
InChi Info:
AuxInfo=1/0/N:7,1,6,2,8,17,18,5,21,16,3,20,19,9,10,13,22,26,23,24,25,12,11,14,4,15/E:(19,20,21)/rA:26nCCCOCCCCCCONCOSCCCCCCCFFFCl/rB:s1;d2;s3;d1s4;s3;w6;s7;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H9ClF3NO3S
All Atoms:35
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0534
Area:566.645
Solvation:-4.11274
Coulombic:-53.05
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:399.772
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.66
LogP (Chemaxon):4.64

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