ChemDB: Chemical Search
Download
Chemical ID: 6019635
Chemical ID:
6019635
Name [?]:
N-[(4-fluorophenyl)methyl]-2-isobutylamino-N-(2-thienylmethyl)acetamide
SMILES [?]:
CC(C)CNCC(=O)N(Cc1ccc(cc1)F)Cc2cccs2
InChi [?]:
InChI=1/C18H23FN2OS/c1-14(2)10-20-11-18(22)21(13-17-4-3-9-23-17)12-15-5-7-16(19)8-6-15/h3-9,14,20H,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,20,12,16,13,15,22,4,6,10,18,2,11,14,19,7,17,5,9,8,23/E:(1,2)(5,6)(7,8)/rA:23nCCCCNCCONCCCCCCCFCCCCCS/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23FN2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2033 |
Area: | 551.76 |
Solvation: | -3.59064 |
Coulombic: | -31.286 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 334.453 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.86 |
LogP (Chemaxon): | 3.29 |
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 |
---|