Chemical ID: 3979923

CCCCN1C(=O)C2C(NC(C2C1=O)(CC3CCCCC3)C(=O)O)c4cc(ccc4O)Br
Chemical ID:
3979923
Name [?]:
2-(5-bromo-2-hydroxy-phenyl)-7-butyl-4-(cyclohexylmethyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid
SMILES [?]:
CCCCN1C(=O)C2C(NC(C2C1=O)(CC3CCCCC3)C(=O)O)c4cc(ccc4O)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H31BrN2O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:4
ZAP Information [?]
Total:11.1507
Area:641.712
Solvation:-4.89214
Coulombic:-75.8836
Bond Count [?]
All:35
Single:29
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:507.417
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:4.27
LogP (Chemaxon):1.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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