Chemical ID: 3982000

CCC(C)C1(C2C(C(N1)c3ccc(cc3)OC(=O)C)C(=O)N(C2=O)c4cccc(c4)N(=O)=O)C(=O)O
Chemical ID:
3982000
Name [?]:
6-(4-acetoxyphenyl)-3-(3-nitrophenyl)-2,4-dioxo-8-sec-butyl-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CCC(C)C1(C2C(C(N1)c3ccc(cc3)OC(=O)C)C(=O)N(C2=O)c4cccc(c4)N(=O)=O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H25N3O8
All Atoms:36
Heavy Atoms:36
Chiral Atoms:5
ZAP Information [?]
Total:5.24311
Area:664.28
Solvation:-11.3639
Coulombic:-86.7402
Bond Count [?]
All:39
Single:27
Double:12
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:495.481
H-Bond Donors:2
H-Bond Acceptors:11
XLogP:2.19
LogP (Chemaxon):0.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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