ChemDB: Chemical Search
Download
Chemical ID: 5562932
Chemical ID:
5562932
Name [?]:
2-(2,6-dimethylmorpholin-4-yl)-N-(2-methylsulfanylphenyl)-acetamide
SMILES [?]:
CC1CN(CC(O1)C)CC(=O)Nc2ccccc2SC
InChi [?]:
InChI=1/C15H22N2O2S/c1-11-8-17(9-12(2)19-11)10-15(18)16-13-6-4-5-7-14(13)20-3/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,8,20,15,16,14,17,3,5,9,2,6,13,18,10,12,4,11,7,19/E:(1,2)(8,9)(11,12)/rA:20cCCCNCCOCCCONCCCCCCSC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.45417 |
Area: | 498.21 |
Solvation: | -4.00107 |
Coulombic: | -34.486 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.413 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.06 |
LogP (Chemaxon): | 2.38 |
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 |
---|