Chemical ID: 5732235

C=CCOc1ccc(cc1)C=C2C(=NC(=Nc3ccc(cc3)F)S2)O
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

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