Chemical ID: 6142687

COc1ccccc1N2C(=O)C(=Cc3c(cccc3Cl)Cl)SC2=O
Chemical ID:
6142687
Name [?]:
5-[(2,6-dichlorophenyl)methylene]-3-(2-methoxyphenyl)-thiazolidine-2,4-dione
SMILES [?]:
COc1ccccc1N2C(=O)C(=Cc3c(cccc3Cl)Cl)SC2=O
InChi [?]:
InChI=1/C17H11Cl2NO3S/c1-23-14-8-3-2-7-13(14)20-16(21)15(24-17(20)22)9-10-11(18)5-4-6-12(10)19/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,17,16,18,7,4,13,14,15,19,8,3,12,10,23,21,20,9,11,24,2,22/E:(5,6)(11,12)(18,19)/rA:24nCOCCCCCCNCOCCCCCCCCClClSCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s15;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11Cl2NO3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.44714
Area:519.107
Solvation:-3.53054
Coulombic:-36.9515
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:380.246
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.3
LogP (Chemaxon):4.54

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