Chemical ID: 6463984

COc1ccc(cc1C=C2C(=O)NC(=Nc3ccc(cc3)F)S2)Cl
Chemical ID:
6463984
Name [?]:
5-[(5-chloro-2-methoxy-phenyl)methylene]-2-(4-fluorophenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1C=C2C(=O)NC(=Nc3ccc(cc3)F)S2)Cl
InChi [?]:
InChI=1/C17H12ClFN2O2S/c1-23-14-7-2-11(18)8-10(14)9-15-16(22)21-17(24-15)20-13-5-3-12(19)4-6-13/h2-9H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,18,20,17,21,4,7,9,8,6,19,16,3,10,11,14,24,22,15,13,12,2,23/E:(3,4)(5,6)/rA:24nCOCCCCCCCCCONCNCCCCCCFSCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClFN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.63532
Area:540.224
Solvation:-3.87028
Coulombic:-39.8488
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:362.807
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.79
LogP (Chemaxon):4.76

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