Chemical ID: 6001713

CCC(C)N(CC(=O)Nc1cc(on1)C)C(=O)c2ccc(cc2)Br
Chemical ID:
6001713
Name [?]:
4-bromo-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)N(CC(=O)Nc1cc(on1)C)C(=O)c2ccc(cc2)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H20BrN3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.2173
Area:545.094
Solvation:-3.41008
Coulombic:-42.6254
Bond Count [?]
All:25
Single:18
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:394.263
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.63
LogP (Chemaxon):3.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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