Chemical ID: 3970957

CC1(C2C(C(N1)c3cc(ccc3OC)Br)C(=O)N(C2=O)CCCc4ccccc4)C(=O)O
Chemical ID:
3970957
Name [?]:
6-(5-bromo-2-methoxy-phenyl)-8-methyl-2,4-dioxo-3-(3-phenylpropyl)-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CC1(C2C(C(N1)c3cc(ccc3OC)Br)C(=O)N(C2=O)CCCc4ccccc4)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H25BrN2O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:4
ZAP Information [?]
Total:10.9628
Area:650.208
Solvation:-5.29236
Coulombic:-67.7482
Bond Count [?]
All:35
Single:26
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:501.37
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.66
LogP (Chemaxon):0.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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