ChemDB: Chemical Search
Download
Chemical ID: 7437655
Chemical ID:
7437655
Name [?]:
2-cyclohexylamino-5-[(4-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)N=C(S2)NC3CCCCC3
InChi [?]:
InChI=1/C17H20N2O2S/c1-21-14-9-7-12(8-10-14)11-15-16(20)19-17(22-15)18-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,5,7,4,8,9,6,17,3,10,11,14,16,13,12,2,15/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCOCCCCCCCCCONCSNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O2S |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.087 |
Area: | 518.082 |
Solvation: | -2.86504 |
Coulombic: | -37.6521 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.419 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.71 |
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 |
---|