Chemical ID: 7140203

C=CCOc1ccccc1C=C2C(=O)NC(=Nc3ccc(cc3)F)S2
Chemical ID:
7140203
Name [?]:
5-[(2-allyloxyphenyl)methylene]-2-(4-fluorophenyl)imino-thiazolidin-4-one
SMILES [?]:
C=CCOc1ccccc1C=C2C(=O)NC(=Nc3ccc(cc3)F)S2
InChi [?]:
InChI=1/C19H15FN2O2S/c1-2-11-24-16-6-4-3-5-13(16)12-17-18(23)22-19(25-17)21-15-9-7-14(20)8-10-15/h2-10,12H,1,11H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,6,20,22,19,23,3,11,10,21,18,5,12,13,16,24,17,15,14,4,25/E:(7,8)(9,10)/rA:25nCCCOCCCCCCCCCONCNCCCCCCFS/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15FN2O2S
All Atoms:40
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0293
Area:556.257
Solvation:-3.87715
Coulombic:-42.075
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:3.78
LogP (Chemaxon):4.98

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Descriptor Annotations

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