Chemical ID: 4864577

Cc1ccc(cc1C)NC2=NC(=O)C(=Cc3ccc(cc3)F)S2
Chemical ID:
4864577
Name [?]:
2-(3,4-dimethylphenyl)amino-5-[(4-fluorophenyl)methylene]thiazol-4-one
SMILES [?]:
Cc1ccc(cc1C)NC2=NC(=O)C(=Cc3ccc(cc3)F)S2
InChi [?]:
InChI=1/C18H15FN2OS/c1-11-3-8-15(9-12(11)2)20-18-21-17(22)16(23-18)10-13-4-6-14(19)7-5-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,3,17,21,18,20,4,6,15,2,7,16,19,5,14,12,10,22,9,11,13,23/E:(4,5)(6,7)/rA:23nCCCCCCCCNCNCOCCCCCCCCFS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.116
Area:514.647
Solvation:-2.75016
Coulombic:-33.7122
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:326.389
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.39
LogP (Chemaxon):5.28

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