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Chemical ID: 7140203
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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