Chemical ID: 4046471

CCOC(=O)C1CCCN(C1)S(=O)(=O)c2cc(c(nc2)Cl)Br
Chemical ID:
4046471
Name [?]:
ethyl 1-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)S(=O)(=O)c2cc(c(nc2)Cl)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H16BrClN2O4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:10.3549
Area:537.975
Solvation:-3.09448
Coulombic:-30.4628
Bond Count [?]
All:23
Single:17
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:411.7
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.03
LogP (Chemaxon):2.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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