Chemical ID: 4315907

CCOc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3Cl)Cl)SC2=O
Chemical ID:
4315907
Name [?]:
5-[(2,4-dichlorophenyl)methylene]-3-(4-ethoxyphenyl)-thiazolidine-2,4-dione
SMILES [?]:
CCOc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3Cl)Cl)SC2=O
InChi [?]:
InChI=1/C18H13Cl2NO3S/c1-2-24-14-7-5-13(6-8-14)21-17(22)16(25-18(21)23)9-11-3-4-12(19)10-15(11)20/h3-10H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,17,6,8,5,9,14,19,15,18,7,4,20,13,11,24,22,21,10,12,25,3,23/E:(5,6)(7,8)/rA:25nCCOCCCCCCNCOCCCCCCCCClClSCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s18;s13;s10s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13Cl2NO3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0984
Area:583.647
Solvation:-3.49278
Coulombic:-36.5738
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:394.272
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.72
LogP (Chemaxon):4.88

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