Chemical ID: 7284620

COc1ccc(cc1)CCN2C(SCC2=O)c3ccc(cc3)F
Chemical ID:
7284620
Name [?]:
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)CCN2C(SCC2=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H18FNO2S/c1-22-16-8-2-13(3-9-16)10-11-20-17(21)12-23-18(20)14-4-6-15(19)7-5-14/h2-9,18H,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,18,22,19,21,4,8,9,10,14,6,17,20,3,15,12,23,11,16,2,13/E:(2,3)(4,5)(6,7)(8,9)/rA:23cCOCCCCCCCCNCSCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s11s14;d15;s12;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18FNO2S
All Atoms:41
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.65933
Area:524.967
Solvation:-4.46485
Coulombic:-29.7908
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:331.405
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.48
LogP (Chemaxon):3.5

Name Annotations

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Descriptor Annotations

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