ChemDB: Chemical Search
Download
Chemical ID: 6190682
Chemical ID:
6190682
Name [?]:
2-(4-hydroxyphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1OC)OC)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C19H18N2O5S/c1-24-14-9-4-11(16(25-2)17(14)26-3)10-15-18(23)21-19(27-15)20-12-5-7-13(22)8-6-12/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,12,10,5,21,25,22,24,4,13,6,20,23,3,14,7,8,15,18,19,17,26,16,2,11,9,27/E:(5,6)(7,8)/rA:27nCOCCCCCCOCOCCCCONCNCCCCCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s6;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s23;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O5S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36457 |
Area: | 584.056 |
Solvation: | -6.23684 |
Coulombic: | -66.5666 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.423 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.03 |
LogP (Chemaxon): | 3.31 |
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 |
---|