Chemical ID: 5428471

Cc1cccc(c1N=C2NC(=O)C(=Cc3ccccc3F)S2)C
Chemical ID:
5428471
Name [?]:
2-(2,6-dimethylphenyl)imino-5-[(2-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1N=C2NC(=O)C(=Cc3ccccc3F)S2)C
InChi [?]:
InChI=1/C18H15FN2OS/c1-11-6-5-7-12(2)16(11)20-18-21-17(22)15(23-18)10-13-8-3-4-9-14(13)19/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,17,18,4,3,5,16,19,14,2,6,15,20,13,7,11,9,21,8,10,12,22/E:(1,2)(6,7)(11,12)/rA:23nCCCCCCCNCNCOCCCCCCCCFSC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s9s13;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2794
Area:507.468
Solvation:-2.40733
Coulombic:-34.1297
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:326.389
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.7
LogP (Chemaxon):5.43

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