Chemical ID: 6165211

c1ccc(cc1)N2C(=O)C(=Cc3ccc(o3)c4ccccc4Cl)SC2=O
Chemical ID:
6165211
Name [?]:
5-[[5-(2-chlorophenyl)-2-furyl]methylene]-3-phenyl-thiazolidine-2,4-dione
SMILES [?]:
c1ccc(cc1)N2C(=O)C(=Cc3ccc(o3)c4ccccc4Cl)SC2=O
InChi [?]:
InChI=1/C20H12ClNO3S/c21-16-9-5-4-8-15(16)17-11-10-14(25-17)12-18-19(23)22(20(24)26-18)13-6-2-1-3-7-13/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,6,19,20,3,5,18,21,13,14,11,4,12,17,22,15,10,8,25,23,7,9,26,16,24/E:(2,3)(6,7)/rA:26nCCCCCCNCOCCCCCCOCCCCCCClSCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s10;s7s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12ClNO3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.55174
Area:537.59
Solvation:-3.888
Coulombic:-35.096
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:381.833
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.42
LogP (Chemaxon):4.67

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