ChemDB: Chemical Search
Download
Chemical ID: 7305762
Chemical ID:
7305762
Name [?]:
(2-bromo-5-methoxy-phenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]-methanone
SMILES [?]:
COc1ccc(c(c1)C(=O)N2CCN(CC2)c3ccccc3OC)Br
InChi [?]:
InChI=1/C19H21BrN2O3/c1-24-14-7-8-16(20)15(13-14)19(23)22-11-9-21(10-12-22)17-5-3-4-6-18(17)25-2/h3-8,13H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,19,20,18,21,4,5,13,15,12,16,8,3,7,6,17,22,9,25,14,11,10,2,23/E:(9,10)(11,12)/rA:25nCOCCCCCCCONCCNCCCCCCCCOCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s22;s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21BrN2O3 |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.25454 |
Area: | 554.468 |
Solvation: | -5.60715 |
Coulombic: | -37.8487 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 405.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.43 |
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 |
---|