Chemical ID: 3973108

CCCCC1(C2C(C(N1)c3ccccc3OC)C(=O)N(C2=O)C(C)(C)C)C(=O)O
Chemical ID:
3973108
Name [?]:
8-butyl-6-(2-methoxyphenyl)-2,4-dioxo-3-tert-butyl-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CCCCC1(C2C(C(N1)c3ccccc3OC)C(=O)N(C2=O)C(C)(C)C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H30N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:4
ZAP Information [?]
Total:9.0269
Area:547.772
Solvation:-4.6674
Coulombic:-67.6692
Bond Count [?]
All:31
Single:25
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:402.484
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.44
LogP (Chemaxon):-0.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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