Chemical ID: 3980731

CCCCN1C(=O)C2C(NC(C2C1=O)(C)C(=O)O)c3cc(ccc3O)Br
Chemical ID:
3980731
Name [?]:
2-(5-bromo-2-hydroxy-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(ccc3O)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21BrN2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:4
ZAP Information [?]
Total:8.87789
Area:551.335
Solvation:-4.90549
Coulombic:-74.606
Bond Count [?]
All:28
Single:22
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:425.274
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.47
LogP (Chemaxon):-0.34

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Experimental Annotations

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Descriptor Annotations

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