ChemDB: Chemical Search
Download
Chemical ID: 7408477
Chemical ID:
7408477
Name [?]:
5-benzyl-3-quinoxalin-6-yl-imidazolidine-2,4-dione
SMILES [?]:
c1ccc(cc1)CC2C(=O)N(C(=O)N2)c3ccc4c(c3)nccn4
InChi [?]:
InChI=1/C18H14N4O2/c23-17-16(10-12-4-2-1-3-5-12)21-18(24)22(17)13-6-7-14-15(11-13)20-9-8-19-14/h1-9,11,16H,10H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,17,23,22,7,20,4,15,18,19,8,9,12,24,21,14,11,10,13/E:(2,3)(4,5)/rA:24cCCCCCCCCCONCONCCCCCCNCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s17;s18;d15s19;d19;s21;d22;d18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N4O2 |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.54617 |
Area: | 502.203 |
Solvation: | -3.00891 |
Coulombic: | -50.5118 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 318.33 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.79 |
LogP (Chemaxon): | 1.98 |
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 |
---|