Chemical ID: 3980701

CCCCN1C(=O)C2C(NC(C2C1=O)(C)C(=O)O)c3cc(ccc3OC)Br
Chemical ID:
3980701
Name [?]:
2-(5-bromo-2-methoxy-phenyl)-7-butyl-4-methyl-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid
SMILES [?]:
CCCCN1C(=O)C2C(NC(C2C1=O)(C)C(=O)O)c3cc(ccc3OC)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H23BrN2O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:4
ZAP Information [?]
Total:9.22195
Area:569.304
Solvation:-5.01065
Coulombic:-66.1
Bond Count [?]
All:29
Single:23
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:439.3
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.79
LogP (Chemaxon):-0.3

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Experimental Annotations

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Descriptor Annotations

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