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Chemical ID: 5745241
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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