Chemical ID: 4321376

COc1cccc(c1C(=O)N2CCN(CC2)Cc3cccc(c3)[N+](=O)[O-])OC
Chemical ID:
4321376
Name [?]:
(2,6-dimethoxyphenyl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-methanone
SMILES [?]:
COc1cccc(c1C(=O)N2CCN(CC2)Cc3cccc(c3)[N+](=O)[O-])OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H23N3O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:4.02297
Area:598.999
Solvation:-10.952
Coulombic:-48.3328
Bond Count [?]
All:30
Single:22
Double:8
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:385.414
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:2.52
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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