ChemDB: Chemical Search
Download
Chemical ID: 6038859
Chemical ID:
6038859
Name [?]:
N-[2-(4-acetylpiperazin-1-yl)carbonylethyl]-N-benzyl-pyrazine-2-carboxamide
SMILES [?]:
CC(=O)N1CCN(CC1)C(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3
InChi [?]:
InChI=1/C21H25N5O3/c1-17(27)24-11-13-25(14-12-24)20(28)7-10-26(16-18-5-3-2-4-6-18)21(29)19-15-22-8-9-23-19/h2-6,8-9,15H,7,10-14,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,12,27,28,13,5,9,6,8,25,15,2,16,24,10,22,26,29,4,7,14,3,11,23/E:(3,4)(5,6)(11,12)(13,14)/rA:29nCCONCCNCCCOCCNCCCCCCCCOCCNCCN/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s14;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N5O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.374 |
Area: | 609.981 |
Solvation: | -4.87554 |
Coulombic: | -58.6931 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 395.455 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.25 |
LogP (Chemaxon): | -0.8 |
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 |
---|