Chemical ID: 5873912

CCOC(=O)C1CCCN(C1)C(=O)C(C(C)C)NC(=O)Nc2cccc(c2)Br
Chemical ID:
5873912
Name [?]:
ethyl 1-[2-[(3-bromophenyl)carbamoylamino]-3-methyl-butanoyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)C(=O)C(C(C)C)NC(=O)Nc2cccc(c2)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H28BrN3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:12.7307
Area:644.061
Solvation:-3.37079
Coulombic:-70.7206
Bond Count [?]
All:29
Single:23
Double:6
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:454.358
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.87
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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