Chemical ID: 7142647

CCN=C1N(C(=O)C(=Cc2ccc(cc2)F)S1)CC
Chemical ID:
7142647
Name [?]:
3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(cc2)F)S1)CC
InChi [?]:
InChI=1/C14H15FN2OS/c1-3-16-14-17(4-2)13(18)12(19-14)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,11,15,12,14,9,10,13,8,6,4,16,3,5,7,17/E:(5,6)(7,8)/rA:19nCCNCNCOCCCCCCCCFSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s4s8;s5;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15FN2OS
All Atoms:34
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:8.87321
Area:459.423
Solvation:-2.61238
Coulombic:-28.8434
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.79
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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