Chemical ID: 5798258

CCOC(=O)C1=C(N(C(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCC)C)c3ccc(cc3)Br)C
Chemical ID:
5798258
Name [?]:
diethyl 1-(4-bromophenyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
SMILES [?]:
CCOC(=O)C1=C(N(C(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCC)C)c3ccc(cc3)Br)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H25BrN2O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:8.98142
Area:653.12
Solvation:-7.34658
Coulombic:-58.1087
Bond Count [?]
All:36
Single:25
Double:11
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:529.38
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:5.76
LogP (Chemaxon):4.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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