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Chemical ID: 5611552
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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