Chemical ID: 4080086

CC(=O)N1CCCN(CC1)S(=O)(=O)c2ccc(cc2F)F
Chemical ID:
4080086
Name [?]:
1-[4-(2,4-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
SMILES [?]:
CC(=O)N1CCCN(CC1)S(=O)(=O)c2ccc(cc2F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H16F2N2O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:5.86243
Area:444.429
Solvation:-5.24828
Coulombic:-26.7564
Bond Count [?]
All:22
Single:16
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.341
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.22
LogP (Chemaxon):0.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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