Chemical ID: 5745241

CCOc1ccc(cc1)C=C2C(=NC(=Nc3ccc(cc3)F)S2)O
Chemical ID:
5745241
Name [?]:
5-[(4-ethoxyphenyl)methylene]-2-(4-fluorophenyl)imino-thiazol-4-ol
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=NC(=Nc3ccc(cc3)F)S2)O
InChi [?]:
InChI=1/C18H15FN2O2S/c1-2-23-15-9-3-12(4-10-15)11-16-17(22)21-18(24-16)20-14-7-5-13(19)6-8-14/h3-11H,2H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,18,20,17,21,5,9,10,7,19,16,4,11,12,14,22,15,13,24,3,23/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCOCCCCCCCCCNCNCCCCCCFSO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s11s14;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.61974
Area:539.441
Solvation:-3.86628
Coulombic:-42.0188
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:342.388
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.9
LogP (Chemaxon):5.27

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