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Chemical ID: 5732235
Chemical ID:
5732235
Name [?]:
5-[(4-allyloxyphenyl)methylene]-2-(4-fluorophenyl)imino-thiazol-4-ol
SMILES [?]:
C=CCOc1ccc(cc1)C=C2C(=NC(=Nc3ccc(cc3)F)S2)O
InChi [?]:
InChI=1/C19H15FN2O2S/c1-2-11-24-16-9-3-13(4-10-16)12-17-18(23)22-19(25-17)21-15-7-5-14(20)6-8-15/h2-10,12H,1,11H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,7,9,19,21,18,22,6,10,3,11,8,20,17,5,12,13,15,23,16,14,25,4,24/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCOCCCCCCCCCNCNCCCCCCFSO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s12s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15FN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1296 |
Area: | 561.502 |
Solvation: | -3.9079 |
Coulombic: | -43.7271 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.09 |
LogP (Chemaxon): | 5.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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