ChemDB: Chemical Search
Download
Chemical ID: 5682939
Chemical ID:
5682939
Name [?]:
N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,8-trien-8-yl)acetamide
SMILES [?]:
CC(=O)NC1=NN2C(C=C(N=C2N1)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C19H17N5O/c1-13(25)20-18-22-19-21-16(14-8-4-2-5-9-14)12-17(24(19)23-18)15-10-6-3-7-11-15/h2-12,17H,1H3,(H2,20,21,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,17,23,16,18,22,24,15,19,21,25,9,2,14,20,10,8,5,12,4,11,13,6,7,3/E:(4,5)(6,7)(8,9)(10,11)/rA:25cCCONCNNCCCNCNCCCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;s7;s8;d9;s10;s7d11;s5s12;s10;s14;d15;s16;d17;d14s18;s8;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N5O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.53413 |
Area: | 541.695 |
Solvation: | -4.00824 |
Coulombic: | -45.2486 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 331.371 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.07 |
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 |
---|