Chemical ID: 4191998

COc1ccc(c(c1)OC)CN2CCN(CC2)C(=O)c3ccc(cc3)F
Chemical ID:
4191998
Name [?]:
[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)-methanone
SMILES [?]:
COc1ccc(c(c1)OC)CN2CCN(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H23FN2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.11651
Area:560.612
Solvation:-5.89879
Coulombic:-40.221
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:358.407
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.91
LogP (Chemaxon):2.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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