Chemical ID: 3980117

CCCCN1C(=O)C2C(NC(C2C1=O)(CO)C(=O)O)c3cccc4c3cccc4
Chemical ID:
3980117
Name [?]:
7-butyl-4-(hydroxymethyl)-2-(1-naphthyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid
SMILES [?]:
CCCCN1C(=O)C2C(NC(C2C1=O)(CO)C(=O)O)c3cccc4c3cccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:4
ZAP Information [?]
Total:8.60008
Area:569.371
Solvation:-5.6342
Coulombic:-76.5058
Bond Count [?]
All:32
Single:24
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:396.436
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.21
LogP (Chemaxon):-0.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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