Chemical ID: 3981921

CCCCN1C(=O)C2C(NC(C2C1=O)(C(C)CC)C(=O)O)c3cc(ccc3OC)Br
Chemical ID:
3981921
Name [?]:
2-(5-bromo-2-methoxy-phenyl)-7-butyl-6,8-dioxo-4-sec-butyl-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid
SMILES [?]:
CCCCN1C(=O)C2C(NC(C2C1=O)(C(C)CC)C(=O)O)c3cc(ccc3OC)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H29BrN2O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:5
ZAP Information [?]
Total:9.79058
Area:610.067
Solvation:-5.46108
Coulombic:-66.5089
Bond Count [?]
All:32
Single:26
Double:6
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:481.38
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.01
LogP (Chemaxon):0.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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