ChemDB: Chemical Search
Download
Chemical ID: 6264785
Chemical ID:
6264785
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-dimethylamino-benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)Nc2nc(cs2)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C20H21N3O3S/c1-23(2)14-7-5-13(6-8-14)19(24)22-20-21-17(12-27-20)16-11-15(25-3)9-10-18(16)26-4/h5-12H,1-4H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,27,25,6,8,5,9,21,22,19,16,7,4,20,18,15,23,10,13,14,12,2,11,26,24,17/E:(1,2)(5,6)(7,8)/rA:27nCNCCCCCCCCONCNCCSCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s23;s24;s20;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37667 |
Area: | 608.295 |
Solvation: | -5.83071 |
Coulombic: | -46.6657 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 383.465 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.87 |
LogP (Chemaxon): | 4.2 |
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 |
---|