ChemDB: Chemical Search
Download
Chemical ID: 7265799
Chemical ID:
7265799
Name [?]:
N-(1-cyano-1,2-dimethyl-propyl)-2-(2-naphthylsulfanyl)acetamide
SMILES [?]:
CC(C)C(C)(C#N)NC(=O)CSc1ccc2ccccc2c1
InChi [?]:
InChI=1/C18H20N2OS/c1-13(2)18(3,12-19)20-17(21)11-22-16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13H,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,5,18,19,17,20,15,14,22,11,6,2,16,21,13,9,4,7,8,10,12/E:(1,2)/rA:22cCCCCCCNNCOCSCCCCCCCCCC/rB:s1;s2;s2;s4;s4;t6;s4;s8;d9;s9;s11;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2OS |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.83871 |
Area: | 529.338 |
Solvation: | -3.39475 |
Coulombic: | -26.3698 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 312.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.72 |
LogP (Chemaxon): | 3.8 |
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 |
---|