Chemical ID: 4450684

c1cc2c(cc1CN3CCN(CC3)S(=O)(=O)c4ccc(c(c4)Cl)F)OCO2
Chemical ID:
4450684
Name [?]:
1-(benzo[1,3]dioxol-5-ylmethyl)-4-(3-chloro-4-fluoro-phenyl)sulfonyl-piperazine
SMILES [?]:
c1cc2c(cc1CN3CCN(CC3)S(=O)(=O)c4ccc(c(c4)Cl)F)OCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18ClFN2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.24818
Area:582.771
Solvation:-5.3211
Coulombic:-31.7724
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:412.864
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.0
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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