Chemical ID: 7139939

CCOc1cc(ccc1O)C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl
Chemical ID:
7139939
Name [?]:
3-(4-chlorophenyl)-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H14ClNO4S/c1-2-24-15-9-11(3-8-14(15)21)10-16-17(22)20(18(23)25-16)13-6-4-12(19)5-7-13/h3-10,21H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,21,23,20,24,8,5,11,6,22,19,9,4,12,13,16,25,15,10,14,17,3,18/E:(4,5)(6,7)/rA:25nCCOCCCCCCOCCCONCOSCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;s15;d16;s12s16;s15;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClNO4S
All Atoms:39
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.23656
Area:568.124
Solvation:-4.96655
Coulombic:-51.7298
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:375.827
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.7
LogP (Chemaxon):4.08

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