ChemDB: Chemical Search
Download
Chemical ID: 6856930
Chemical ID:
6856930
Name [?]:
N-(4-butylphenyl)-2-butylsulfanyl-acetamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)CSCCCC
InChi [?]:
InChI=1/C16H25NOS/c1-3-5-7-14-8-10-15(11-9-14)17-16(18)13-19-12-6-4-2/h8-11H,3-7,12-13H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,2,18,3,17,4,6,10,7,9,16,14,5,8,12,11,13,15/E:(8,9)(10,11)/rA:19nCCCCCCCCCCNCOCSCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NOS |
All Atoms: | 44 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8861 |
Area: | 536.098 |
Solvation: | -2.51634 |
Coulombic: | -22.9139 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 279.442 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.11 |
LogP (Chemaxon): | 4.62 |
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 |
---|