Chemical ID: 3978796

CC(=O)Oc1ccc(cc1)C2C3C(C(=O)N(C3=O)c4cccc(c4)N(=O)=O)C(N2)(C)C(=O)O
Chemical ID:
3978796
Name [?]:
8-(4-acetoxyphenyl)-6-methyl-3-(3-nitrophenyl)-2,4-dioxo-3,7-diazabicyclo[3.3.0]octane-6-carboxylic acid
SMILES [?]:
CC(=O)Oc1ccc(cc1)C2C3C(C(=O)N(C3=O)c4cccc(c4)N(=O)=O)C(N2)(C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19N3O8
All Atoms:33
Heavy Atoms:33
Chiral Atoms:4
ZAP Information [?]
Total:5.23703
Area:646.958
Solvation:-10.9369
Coulombic:-85.9551
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:453.402
H-Bond Donors:2
H-Bond Acceptors:11
XLogP:0.97
LogP (Chemaxon):-0.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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