ChemDB: Chemical Search
Download
Chemical ID: 5540288
Chemical ID:
5540288
Name [?]:
2-(3,4-dimethylphenyl)imino-3-methyl-5-(4-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N=C2N(C(=O)C(=Cc3ccncc3)S2)C
InChi [?]:
InChI=1/C18H17N3OS/c1-12-4-5-15(10-13(12)2)20-18-21(3)17(22)16(23-18)11-14-6-8-19-9-7-14/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,23,3,4,17,21,18,20,6,15,2,7,16,5,14,12,10,19,9,11,13,22/E:(6,7)(8,9)/rA:23nCCCCCCCCNCNCOCCCCCNCCSC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s10s14;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2477 |
Area: | 509.219 |
Solvation: | -2.48281 |
Coulombic: | -29.0158 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 323.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.86 |
LogP (Chemaxon): | 4.22 |
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 |
---|