Chemical ID: 5820194

CCOC(=O)C12CC3CC(C1)C(C(C3)C2)NC(=O)c4cccc(c4)Br
Chemical ID:
5820194
Name [?]:
ethyl 4-(3-bromobenzoyl)aminoadamantane-1-carboxylate
SMILES [?]:
CCOC(=O)C12CC3CC(C1)C(C(C3)C2)NC(=O)c4cccc(c4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H24BrNO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:11.3317
Area:553.377
Solvation:-2.50268
Coulombic:-42.4237
Bond Count [?]
All:28
Single:23
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:406.314
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.26
LogP (Chemaxon):3.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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