Chemical ID: 6468054

c1cc(cc(c1)Cl)N2C(=O)C(=Cc3cc4c(cc3Cl)OCO4)SC2=O
Chemical ID:
6468054
Name [?]:
5-[(6-chlorobenzo[1,3]dioxol-5-yl)methylene]-3-(3-chlorophenyl)-thiazolidine-2,4-dione
SMILES [?]:
c1cc(cc(c1)Cl)N2C(=O)C(=Cc3cc4c(cc3Cl)OCO4)SC2=O
InChi [?]:
InChI=1/C17H9Cl2NO4S/c18-10-2-1-3-11(6-10)20-16(21)15(25-17(20)22)5-9-4-13-14(7-12(9)19)24-8-23-13/h1-7H,8H2
InChi Info:
AuxInfo=1/0/N:1,6,2,14,12,4,17,21,13,5,3,18,15,16,11,9,24,7,19,8,10,25,22,20,23/rA:25nCCCCCCClNCOCCCCCCCCClOCOSCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s16;s20;s15s21;s11;s8s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H9Cl2NO4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.23
Area:560.178
Solvation:-3.77449
Coulombic:-44.7068
Bond Count [?]
All:28
Single:19
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:394.229
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.14
LogP (Chemaxon):4.47

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Descriptor Annotations

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