ChemDB: Chemical Search
Download
Chemical ID: 7140797
Chemical ID:
7140797
Name [?]:
5-[(5-bromo-2-furyl)methylene]-2-(2,3-dichlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)N=C2NC(=O)C(=Cc3ccc(o3)Br)S2
InChi [?]:
InChI=1/C14H7BrCl2N2O2S/c15-11-5-4-7(21-11)6-10-13(20)19-14(22-10)18-9-3-1-2-8(16)12(9)17/h1-6H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,6,2,17,18,15,16,5,3,14,19,4,12,10,21,7,8,9,11,13,20,22/rA:22nCCCCCCClClNCNCOCCCCCCOBrS/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;w9;s10;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H7BrCl2N2O2S |
All Atoms: | 29 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8029 |
Area: | 527.109 |
Solvation: | -3.37484 |
Coulombic: | -34.7374 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 418.093 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.84 |
LogP (Chemaxon): | 4.77 |
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 |
---|