Chemical ID: 6851337

CCOc1cc(ccc1OCc2ccccc2Cl)C3C(C(=C)Nc4n3nnn4)C(=O)N
Chemical ID:
6851337
Name [?]:
5-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]-3-methylene-2,6,7,8,9-pentazabicyclo[4.3.0]nona-7,9-diene-4-carboxamide
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2Cl)C3C(C(=C)Nc4n3nnn4)C(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21ClN6O3
All Atoms:52
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:10.8557
Area:649.152
Solvation:-5.37306
Coulombic:-59.7259
Bond Count [?]
All:34
Single:24
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:440.883
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.41
LogP (Chemaxon):2.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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