ChemDB: Chemical Search
Download
Chemical ID: 7140821
Chemical ID:
7140821
Name [?]:
2-(1-naphthylimino)-5-(2-thienylmethylene)thiazolidin-4-one
SMILES [?]:
c1ccc2c(c1)cccc2N=C3NC(=O)C(=Cc4cccs4)S3
InChi [?]:
InChI=1/C18H12N2OS2/c21-17-16(11-13-7-4-10-22-13)23-18(20-17)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,20,6,7,19,3,9,21,17,5,18,4,10,16,14,12,11,13,15,22,23/rA:23nCCCCCCCCCCNCNCOCCCCCCSS/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;w16;s17;d18;s19;d20;s18s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12N2OS2 |
All Atoms: | 35 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4938 |
Area: | 512.406 |
Solvation: | -2.31635 |
Coulombic: | -30.5763 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 336.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.38 |
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 |
---|