ChemDB: Chemical Search
Download
Chemical ID: 4199325
Chemical ID:
4199325
Name [?]:
2-imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=O)NC(=N)S2
InChi [?]:
InChI=1/C13H14N2O4S/c1-17-8-4-7(5-9(18-2)11(8)19-3)6-10-12(16)15-13(14)20-10/h4-6H,1-3H3,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,12,10,4,6,13,5,3,7,14,8,15,18,19,17,16,2,11,9,20/E:(1,2)(4,5)(8,9)(17,18)/rA:20nCOCCCCCCOCOCCCCONCNS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;s17;w18;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O4S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.26091 |
Area: | 463.592 |
Solvation: | -6.32891 |
Coulombic: | -54.7025 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 294.327 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.18 |
LogP (Chemaxon): | 1.24 |
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 |
---|