ChemDB: Chemical Search
Download
Chemical ID: 4059777
Chemical ID:
4059777
Name [?]:
N-(2,6-dimethylphenyl)-4-(2-fluorophenyl)-piperazine-1-carboxamide
SMILES [?]:
Cc1cccc(c1NC(=O)N2CCN(CC2)c3ccccc3F)C
InChi [?]:
InChI=1/C19H22FN3O/c1-14-6-5-7-15(2)18(14)21-19(24)23-12-10-22(11-13-23)17-9-4-3-8-16(17)20/h3-9H,10-13H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,24,20,19,4,3,5,21,18,13,15,12,16,2,6,22,17,7,9,23,8,14,11,10/E:(1,2)(6,7)(10,11)(12,13)(14,15)/rA:24nCCCCCCCNCONCCNCCCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22FN3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25994 |
Area: | 522.097 |
Solvation: | -3.79249 |
Coulombic: | -41.4688 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.396 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.32 |
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 |
---|