ChemDB: Chemical Search
Download
Chemical ID: 7140519
Chemical ID:
7140519
Name [?]:
5-[[5-(3-chlorophenyl)-2-furyl]methylene]-2-(2,3-dichlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)Cl)c2ccc(o2)C=C3C(=O)NC(=Nc4cccc(c4Cl)Cl)S3
InChi [?]:
InChI=1/C20H11Cl3N2O2S/c21-12-4-1-3-11(9-12)16-8-7-13(27-16)10-17-19(26)25-20(28-17)24-15-6-2-5-14(22)18(15)23/h1-10H,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,22,2,6,23,21,10,9,4,13,3,5,11,24,20,8,14,25,15,18,7,27,26,19,17,16,12,28/rA:28nCCCCCCClCCCCOCCCONCNCCCCCCClClS/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;s11;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s25;s24;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H11Cl3N2O2S |
All Atoms: | 39 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3839 |
Area: | 632.5 |
Solvation: | -3.4286 |
Coulombic: | -36.4135 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 449.738 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.61 |
LogP (Chemaxon): | 6.3 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|