Chemical ID: 4307028

COc1ccccc1C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl
Chemical ID:
4307028
Name [?]:
3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
COc1ccccc1C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H12ClNO3S/c1-22-14-5-3-2-4-11(14)10-15-16(20)19(17(21)23-15)13-8-6-12(18)7-9-13/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,19,21,18,22,9,8,20,17,3,10,11,14,23,13,12,15,2,16/E:(6,7)(8,9)/rA:23nCOCCCCCCCCCONCOSCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClNO3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.78701
Area:524.671
Solvation:-3.32976
Coulombic:-36.8618
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:345.801
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.68
LogP (Chemaxon):4.02

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