Chemical ID: 4379092

CCOc1ccc(cc1OC)C=C2C(=O)N(C(=O)S2)Cc3ccc(cc3)F
Chemical ID:
4379092
Name [?]:
5-[(4-ethoxy-3-methoxy-phenyl)methylene]-3-[(4-fluorophenyl)methyl]thiazolidine-2,4-dione
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)N(C(=O)S2)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C20H18FNO4S/c1-3-26-16-9-6-14(10-17(16)25-2)11-18-19(23)22(20(24)27-18)12-13-4-7-15(21)8-5-13/h4-11H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,22,26,6,23,25,5,8,12,20,21,7,24,4,9,13,14,17,27,16,15,18,10,3,19/E:(4,5)(7,8)/rA:27nCCOCCCCCCOCCCCONCOSCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;d17;s13s17;s16;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18FNO4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.1053
Area:579.684
Solvation:-6.38681
Coulombic:-46.8766
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:387.426
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.43
LogP (Chemaxon):3.83

Name Annotations

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Descriptor Annotations

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