ChemDB: Chemical Search
Download
Chemical ID: 6360985
Chemical ID:
6360985
Name [?]:
N-(5-methyl-4-phenyl-thiazol-2-yl)-2-(2-naphthyloxy)acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)COc2ccc3ccccc3c2)c4ccccc4
InChi [?]:
InChI=1/C22H18N2O2S/c1-15-21(17-8-3-2-4-9-17)24-22(27-15)23-20(25)14-26-19-12-11-16-7-5-6-10-18(16)13-19/h2-13H,14H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,17,18,16,23,27,19,14,13,21,10,2,15,22,20,12,8,3,5,7,4,9,11,6/E:(3,4)(8,9)/rA:27nCCCNCSNCOCOCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s3;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3737 |
Area: | 599.297 |
Solvation: | -4.60878 |
Coulombic: | -36.3635 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 374.457 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.63 |
LogP (Chemaxon): | 5.22 |
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 |
---|