Chemical ID: 5974707

CCCCCN1CC2=C(C1=O)C(NC(=O)N2CC=C)c3cccc(c3)OCc4ccccc4
Chemical ID:
5974707
Name [?]:
2-allyl-5-(3-benzyloxyphenyl)-8-pentyl-2,4,8-triazabicyclo[4.3.0]non-10-ene-3,7-dione
SMILES [?]:
CCCCCN1CC2=C(C1=O)C(NC(=O)N2CC=C)c3cccc(c3)OCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H31N3O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.3988
Area:713.276
Solvation:-4.43311
Coulombic:-58.7643
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:445.553
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.29
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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