ChemDB: Chemical Search
Download
Chemical ID: 6169974
Chemical ID:
6169974
Name [?]:
N-(3-methoxypropyl)-2-(p-tolylsulfanyl)acetamide
SMILES [?]:
Cc1ccc(cc1)SCC(=O)NCCCOC
InChi [?]:
InChI=1/C13H19NO2S/c1-11-4-6-12(7-5-11)17-10-13(15)14-8-3-9-16-2/h4-7H,3,8-10H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,14,3,7,4,6,13,15,9,2,5,10,12,11,16,8/E:(4,5)(6,7)/rA:17nCCCCCCCSCCONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97729 |
Area: | 479.945 |
Solvation: | -4.02135 |
Coulombic: | -29.2304 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 253.361 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.28 |
LogP (Chemaxon): | 1.66 |
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 |
---|