Chemical ID: 4189320

CCOc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3)O)SC2=O
Chemical ID:
4189320
Name [?]:
3-(4-ethoxyphenyl)-5-[(3-hydroxyphenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
CCOc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3)O)SC2=O
InChi [?]:
InChI=1/C18H15NO4S/c1-2-23-15-8-6-13(7-9-15)19-17(21)16(24-18(19)22)11-12-4-3-5-14(20)10-12/h3-11,20H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,6,8,5,9,20,14,15,7,19,4,13,11,23,10,21,12,24,3,22/E:(6,7)(8,9)/rA:24nCCOCCCCCCNCOCCCCCCCCOSCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s13;s10s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.86682
Area:535.074
Solvation:-4.51003
Coulombic:-51.3484
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:341.382
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.07
LogP (Chemaxon):3.56

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