ChemDB: Chemical Search
Download
Chemical ID: 5611328
Chemical ID:
5611328
Name [?]:
3,5-dimethoxy-N-[4-(2-naphthyl)thiazol-2-yl]-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)Nc2nc(cs2)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C22H18N2O3S/c1-26-18-10-17(11-19(12-18)27-2)21(25)24-22-23-20(13-28-22)16-8-7-14-5-3-4-6-15(14)9-16/h3-13H,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,10,24,25,23,26,21,20,28,4,6,8,17,22,27,19,5,3,7,16,11,14,15,13,12,2,9,18/E:(1,2)(10,11)(18,19)(26,27)/rA:28nCOCCCCCCOCCONCNCCSCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0855 |
Area: | 609.092 |
Solvation: | -5.1418 |
Coulombic: | -42.4655 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 390.456 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.92 |
LogP (Chemaxon): | 4.94 |
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 |
---|