Chemical ID: 6165034

c1ccc(c(c1)C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl)OCc4ccc(cc4)F
Chemical ID:
6165034
Name [?]:
3-(4-chlorophenyl)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylene]thiazolidine-2,4-dione
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C23H15ClFNO3S/c24-17-7-11-19(12-8-17)26-22(27)21(30-23(26)28)13-16-3-1-2-4-20(16)29-14-15-5-9-18(25)10-6-15/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,25,29,17,19,26,28,16,20,7,23,24,5,18,27,15,4,8,9,12,21,30,11,10,13,22,14/E:(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCCCONCOSCCCCCCClOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s17;d18;d15s19;s18;s4;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H15ClFNO3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.6642
Area:644.668
Solvation:-4.45254
Coulombic:-41.9636
Bond Count [?]
All:33
Single:21
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:439.887
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.55
LogP (Chemaxon):5.94

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Descriptor Annotations

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