Chemical ID: 5611552

Cc1cc(ccc1OC)c2csc(=NC(=O)c3ccccc3F)[nH]2
Chemical ID:
5611552
Name [?]:
2-fluoro-N-[4-(4-methoxy-3-methyl-phenyl)-3H-thiazol-2-ylidene]-benzamide
SMILES [?]:
Cc1cc(ccc1OC)c2csc(=NC(=O)c3ccccc3F)[nH]2
InChi [?]:
InChI=1/C18H15FN2O2S/c1-11-9-12(7-8-16(11)23-2)15-10-24-18(20-15)21-17(22)13-5-3-4-6-14(13)19/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,9,19,20,18,21,5,6,3,11,2,4,17,22,10,7,15,13,23,24,14,16,8,12/rA:24nCCCCCCCOCCCSCNCOCCCCCCFN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s11;s12;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s10s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.82063
Area:534.562
Solvation:-4.54341
Coulombic:-39.4858
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:342.388
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.77
LogP (Chemaxon):4.41

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