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Chemical ID: 6165211
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
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Experimental Annotations
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Descriptor Annotations
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