Chemical ID: 3972680

CC(C)CC1(C2C(C(N1)c3cccc(c3)C#N)C(=O)N(C2=O)C(C)(C)C)C(=O)O
Chemical ID:
3972680
Name [?]:
6-(3-cyanophenyl)-8-isobutyl-2,4-dioxo-3-tert-butyl-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CC(C)CC1(C2C(C(N1)c3cccc(c3)C#N)C(=O)N(C2=O)C(C)(C)C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H27N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:4
ZAP Information [?]
Total:9.40384
Area:543.686
Solvation:-4.18832
Coulombic:-63.5485
Bond Count [?]
All:31
Single:24
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.468
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.18
LogP (Chemaxon):-0.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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