ChemDB: Chemical Search
Download
Chemical ID: 3918430
Chemical ID:
3918430
Name [?]:
N-(2-methoxyethyl)-4-methyl-8-phenyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1ccc2nc(c(n2c1)NCCOC)c3ccccc3
InChi [?]:
InChI=1/C17H19N3O/c1-13-8-9-15-19-16(14-6-4-3-5-7-14)17(20(15)12-13)18-10-11-21-2/h3-9,12,18H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,19,18,20,17,21,3,4,12,13,10,2,16,5,7,8,11,6,9,14/E:(4,5)(6,7)/rA:21nCCCCCNCCNCNCCOCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;s11;s12;s13;s14;s7;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.30872 |
Area: | 484.475 |
Solvation: | -3.80317 |
Coulombic: | -32.1872 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.03 |
LogP (Chemaxon): | 3.24 |
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 |
---|