ChemDB: Chemical Search
Download
Chemical ID: 6468564
Chemical ID:
6468564
Name [?]:
2-phenylimino-3-propyl-5-(4-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
CCCN1C(=O)C(=Cc2ccncc2)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C18H17N3OS/c1-2-12-21-17(22)16(13-14-8-10-19-11-9-14)23-18(21)20-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,20,22,19,23,10,14,11,13,3,8,9,18,7,5,16,12,17,4,6,15/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCNCOCCCCCNCCSCNCCCCCC/rB:s1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s7;s4s15;w16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99365 |
Area: | 498.206 |
Solvation: | -2.46149 |
Coulombic: | -30.1111 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 323.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.76 |
LogP (Chemaxon): | 4.1 |
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 |
---|