ChemDB: Chemical Search
Download
Chemical ID: 7090024
Chemical ID:
7090024
Name [?]:
8-(4-methoxyphenyl)-5-methyl-9-(piperazin-1-ylmethyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1cccn2c1nc(c2CN3CCNCC3)c4ccc(cc4)OC
InChi [?]:
InChI=1/C20H24N4O/c1-15-4-3-11-24-18(14-23-12-9-21-10-13-23)19(22-20(15)24)16-5-7-17(25-2)8-6-16/h3-8,11,21H,9-10,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,4,3,19,23,20,22,14,16,5,13,17,11,2,18,21,10,9,7,15,8,12,6,24/E:(5,6)(7,8)(9,10)(12,13)/rA:25nCCCCCNCNCCCNCCNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s10;s11;s12;s13;s14;s15;s12s16;s9;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N4O |
All Atoms: | 49 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46947 |
Area: | 533.053 |
Solvation: | -3.85687 |
Coulombic: | -32.4947 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 336.431 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.17 |
LogP (Chemaxon): | 2.73 |
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 |
---|