Chemical ID: 7140045

c1ccc(c(c1)C(F)(F)F)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2
Chemical ID:
7140045
Name [?]:
5-[(4-hydroxyphenyl)methylene]-2-[2-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C17H11F3N2O2S/c18-17(19,20)12-3-1-2-4-13(12)21-16-22-15(24)14(25-16)9-10-5-7-11(23)8-6-10/h1-9,23H,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,19,23,20,22,17,18,21,5,4,16,14,12,7,8,9,10,11,13,24,15,25/E:(5,6)(7,8)(18,19,20)/rA:25nCCCCCCCFFFNCNCOCCCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11F3N2O2S
All Atoms:36
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.37584
Area:519.248
Solvation:-3.60537
Coulombic:-63.7178
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:364.343
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.61
LogP (Chemaxon):4.95

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