Chemical ID: 3980116

c1ccc(cc1)CN2C(=O)C3C(NC(C3C2=O)(CO)C(=O)O)c4cccc5c4cccc5
Chemical ID:
3980116
Name [?]:
7-benzyl-4-(hydroxymethyl)-2-(1-naphthyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid
SMILES [?]:
c1ccc(cc1)CN2C(=O)C3C(NC(C3C2=O)(CO)C(=O)O)c4cccc5c4cccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22N2O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:4
ZAP Information [?]
Total:8.93571
Area:590.446
Solvation:-5.82545
Coulombic:-77.6082
Bond Count [?]
All:36
Single:25
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:430.453
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.57
LogP (Chemaxon):-0.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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