Chemical ID: 4442949

CCOC(=O)C1=CN(C=C(C1c2cccc(c2)Br)C(=O)OCC)C
Chemical ID:
4442949
Name [?]:
diethyl 4-(3-bromophenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
SMILES [?]:
CCOC(=O)C1=CN(C=C(C1c2cccc(c2)Br)C(=O)OCC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H20BrNO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.334
Area:508.879
Solvation:-2.38793
Coulombic:-45.8088
Bond Count [?]
All:25
Single:18
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:394.26
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.96
LogP (Chemaxon):3.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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