ChemDB: Chemical Search
Download
Chemical ID: 7141160
Chemical ID:
7141160
Name [?]:
5-[(4-allyloxyphenyl)methylene]-2-(2-naphthylimino)thiazolidin-4-one
SMILES [?]:
C=CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
InChi [?]:
InChI=1/C23H18N2O2S/c1-2-13-27-20-11-7-16(8-12-20)14-21-22(26)25-23(28-21)24-19-10-9-17-5-3-4-6-18(17)15-19/h2-12,14-15H,1,13H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,23,24,22,25,7,9,20,19,6,10,3,11,27,8,21,26,18,5,12,13,16,17,15,14,4,28/E:(7,8)(11,12)/rA:28nCCCOCCCCCCCCCONCNCCCCCCCCCCS/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2O2S |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8873 |
Area: | 609.902 |
Solvation: | -3.36023 |
Coulombic: | -39.6482 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.467 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.89 |
LogP (Chemaxon): | 5.84 |
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 |
---|