Chemical ID: 7140076

c1ccc(c(c1)C(F)(F)F)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
Chemical ID:
7140076
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-2-[2-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
InChi [?]:
InChI=1/C17H11F3N2O3S/c18-17(19,20)10-3-1-2-4-11(10)21-16-22-15(25)14(26-16)8-9-5-6-12(23)13(24)7-9/h1-8,23-24H,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,19,20,23,17,18,5,4,21,22,16,14,12,7,8,9,10,11,13,25,24,15,26/E:(18,19,20)/rA:26nCCCCCCCFFFNCNCOCCCCCCCCOOS/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11F3N2O3S
All Atoms:37
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.52349
Area:534.141
Solvation:-4.83003
Coulombic:-79.0023
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:380.342
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.63
LogP (Chemaxon):4.67

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