Chemical ID: 4815426

COc1ccccc1C=CC(=O)Nc2nc3n(n2)C(CC(=O)N3)c4ccccc4
Chemical ID:
4815426
Name [?]:
3-(2-methoxyphenyl)-N-(3-oxo-5-phenyl-2,6,7,9-tetrazabicyclo[4.3.0]nona-7,9-dien-8-yl)-prop-2-enamide
SMILES [?]:
COc1ccccc1C=CC(=O)Nc2nc3n(n2)C(CC(=O)N3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19N5O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.62033
Area:600.786
Solvation:-5.39932
Coulombic:-61.9229
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:389.407
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.56
LogP (Chemaxon):3.56

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Experimental Annotations

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Descriptor Annotations

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