Chemical ID: 6616805

c1cc(ccc1c2ccc(o2)C=C3C(=O)N(C(=O)S3)c4ccc(cc4)Cl)Cl
Chemical ID:
6616805
Name [?]:
3-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-2-furyl]methylene]thiazolidine-2,4-dione
SMILES [?]:
c1cc(ccc1c2ccc(o2)C=C3C(=O)N(C(=O)S3)c4ccc(cc4)Cl)Cl
InChi [?]:
InChI=1/C20H11Cl2NO3S/c21-13-3-1-12(2-4-13)17-10-9-16(26-17)11-18-19(24)23(20(25)27-18)15-7-5-14(22)6-8-15/h1-11H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,22,24,21,25,9,8,12,6,3,23,20,10,7,13,14,17,27,26,16,15,18,11,19/E:(1,2)(3,4)(5,6)(7,8)/rA:27nCCCCCCCCCCOCCCONCOSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;w12;s13;d14;s14;s16;d17;s13s17;s16;s20;d21;s22;d23;d20s24;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11Cl2NO3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.339
Area:596.498
Solvation:-3.57348
Coulombic:-35.6726
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:416.278
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.04
LogP (Chemaxon):5.19

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue