ChemDB: Chemical Search
Download
Chemical ID: 6473444
Chemical ID:
6473444
Name [?]:
7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,7-diazabicyclo[3.3.0]octane-6,8-dione
SMILES [?]:
COc1ccccc1N2CCN(CC2)CCCN3C(=O)C4CCCN4C3=O
InChi [?]:
InChI=1/C20H28N4O3/c1-27-18-8-3-2-6-16(18)22-14-12-21(13-15-22)9-5-11-24-19(25)17-7-4-10-23(17)20(24)26/h2-3,6,8,17H,4-5,7,9-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,23,16,7,22,4,15,24,17,11,13,10,14,8,21,3,19,26,12,9,25,18,20,27,2/E:(12,13)(14,15)/rA:27cCOCCCCCCNCCNCCCCCNCOCCCCNCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;d19;s19;s21;s22;s23;s21s24;s18s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N4O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.50059 |
Area: | 597.557 |
Solvation: | -5.43833 |
Coulombic: | -53.0366 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.461 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.51 |
LogP (Chemaxon): | 1.4 |
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 |
---|