Chemical ID: 5296491

Cc1ccccc1NC2=NC(=O)C(=Cc3cccc(c3)F)S2
Chemical ID:
5296491
Name [?]:
5-[(3-fluorophenyl)methylene]-2-(o-tolylamino)thiazol-4-one
SMILES [?]:
Cc1ccccc1NC2=NC(=O)C(=Cc3cccc(c3)F)S2
InChi [?]:
InChI=1/C17H13FN2OS/c1-11-5-2-3-8-14(11)19-17-20-16(21)15(22-17)10-12-6-4-7-13(18)9-12/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,17,3,16,18,6,20,14,2,15,19,7,13,11,9,21,8,10,12,22/rA:22nCCCCCCCNCNCOCCCCCCCCFS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13FN2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.56063
Area:488.179
Solvation:-2.64386
Coulombic:-34.1452
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:312.362
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.74
LogP (Chemaxon):4.81

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Descriptor Annotations

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