Chemical ID: 5732610

COc1ccccc1C=C2C(=NC(=Nc3ccc(cc3)F)S2)O
Chemical ID:
5732610
Name [?]:
2-(4-fluorophenyl)imino-5-[(2-methoxyphenyl)methylene]thiazol-4-ol
SMILES [?]:
COc1ccccc1C=C2C(=NC(=Nc3ccc(cc3)F)S2)O
InChi [?]:
InChI=1/C17H13FN2O2S/c1-22-14-5-3-2-4-11(14)10-15-16(21)20-17(23-15)19-13-8-6-12(18)7-9-13/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,17,19,16,20,9,8,18,15,3,10,11,13,21,14,12,23,2,22/E:(6,7)(8,9)/rA:23nCOCCCCCCCCCNCNCCCCCCFSO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s10s13;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13FN2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.95358
Area:507.241
Solvation:-3.72744
Coulombic:-42.2763
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:328.362
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.47
LogP (Chemaxon):4.93

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