ChemDB: Chemical Search
Download
Chemical ID: 5830893
Chemical ID:
5830893
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(p-tolylamino)thiazole-4-carboxamide
SMILES [?]:
Cc1ccc(cc1)Nc2nc(cs2)C(=O)NCCc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C21H23N3O3S/c1-14-4-7-16(8-5-14)23-21-24-17(13-28-21)20(25)22-11-10-15-6-9-18(26-2)19(12-15)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,28,26,3,7,20,4,6,21,18,17,24,12,2,19,5,11,22,23,14,9,16,8,10,15,27,25,13/E:(4,5)(7,8)/rA:28nCCCCCCCNCNCCSCONCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s11;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23N3O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5778 |
Area: | 648.836 |
Solvation: | -5.64309 |
Coulombic: | -55.3689 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 397.492 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.4 |
LogP (Chemaxon): | 3.84 |
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 |
---|