ChemDB: Chemical Search
Download
Chemical ID: 7142938
Chemical ID:
7142938
Name [?]:
N-[4-[5-[(2,5-dimethoxyphenyl)methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3cc(ccc3OC)OC)S2
InChi [?]:
InChI=1/C20H19N3O4S/c1-12(24)21-14-4-6-15(7-5-14)22-20-23-19(25)18(28-20)11-13-10-16(26-2)8-9-17(13)27-3/h4-11H,1-3H3,(H,21,24)(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,25,6,10,7,9,21,22,19,17,2,18,5,8,20,23,16,14,12,4,11,13,3,15,26,24,28/E:(4,5)(6,7)/rA:28nCCONCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s20;s26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O4S |
All Atoms: | 47 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.77681 |
Area: | 618.674 |
Solvation: | -5.69005 |
Coulombic: | -61.3395 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.02 |
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 |
---|