ChemDB: Chemical Search
Download
Chemical ID: 7142922
Chemical ID:
7142922
Name [?]:
2-(2,4-dimethoxyphenyl)amino-5-[(2-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3ccccc3OC)S2
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-13-8-9-14(16(11-13)25-3)20-19-21-18(22)17(26-19)10-12-6-4-5-7-15(12)24-2/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,10,20,21,19,22,4,5,17,8,18,3,6,23,7,16,14,12,11,13,15,2,24,9,26/rA:26nCOCCCCCCOCNCNCOCCCCCCCCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.31776 |
Area: | 576.893 |
Solvation: | -5.10458 |
Coulombic: | -51.4643 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.1 |
LogP (Chemaxon): | None |
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 |
---|