Chemical ID: 3980706

CCc1cccc(c1N2C(=O)C3C(NC(C3C2=O)(C)C(=O)O)c4ccc(cc4)Br)CC
Chemical ID:
3980706
Name [?]:
2-(4-bromophenyl)-7-(2,6-diethylphenyl)-4-methyl-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid
SMILES [?]:
CCc1cccc(c1N2C(=O)C3C(NC(C3C2=O)(C)C(=O)O)c4ccc(cc4)Br)CC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H25BrN2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:4
ZAP Information [?]
Total:10.4997
Area:587.863
Solvation:-4.19685
Coulombic:-60.3197
Bond Count [?]
All:34
Single:25
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:485.37
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.47
LogP (Chemaxon):2.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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