Chemical ID: 3981866

CCCCN1C(=O)C2C(NC(C2C1=O)(C(C)CC)C(=O)O)c3ccccc3OC
Chemical ID:
3981866
Name [?]:
7-butyl-2-(2-methoxyphenyl)-6,8-dioxo-4-sec-butyl-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid
SMILES [?]:
CCCCN1C(=O)C2C(NC(C2C1=O)(C(C)CC)C(=O)O)c3ccccc3OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H30N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:5
ZAP Information [?]
Total:9.04719
Area:581.931
Solvation:-5.50109
Coulombic:-66.9404
Bond Count [?]
All:31
Single:25
Double:6
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:402.484
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.21
LogP (Chemaxon):0.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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