Chemical ID: 5039836

c1cc(cc(c1)[N+](=O)[O-])C(=O)Oc2ccc(cc2C(=S)N3CCOCC3)Br
Chemical ID:
5039836
Name [?]:
(4-bromo-2-morpholinocarbothioyl-phenyl) 3-nitrobenzoate
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)Oc2ccc(cc2C(=S)N3CCOCC3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15BrN2O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.42839
Area:600.221
Solvation:-8.57712
Coulombic:-47.2547
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:451.292
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.17
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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