Chemical ID: 5816506

CCOc1ccc(cc1)C(CC(=O)O)NC(=O)c2c(onc2c3ccccc3)C
Chemical ID:
5816506
Name [?]:
3-(4-ethoxyphenyl)-3-(5-methyl-3-phenyl-isoxazol-4-yl)carbonylamino-propanoic acid
SMILES [?]:
CCOc1ccc(cc1)C(CC(=O)O)NC(=O)c2c(onc2c3ccccc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.6603
Area:629.276
Solvation:-5.07156
Coulombic:-59.6692
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:394.421
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.85
LogP (Chemaxon):3.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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