Chemical ID: 5974700

CC(C)N1CC2=C(C1=O)C(NC(=O)N2CC=C)c3cccc(c3)OCc4ccccc4
Chemical ID:
5974700
Name [?]:
2-allyl-5-(3-benzyloxyphenyl)-8-isopropyl-2,4,8-triazabicyclo[4.3.0]non-10-ene-3,7-dione
SMILES [?]:
CC(C)N1CC2=C(C1=O)C(NC(=O)N2CC=C)c3cccc(c3)OCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H27N3O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.9936
Area:652.383
Solvation:-4.31601
Coulombic:-57.8964
Bond Count [?]
All:34
Single:24
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:417.5
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.25
LogP (Chemaxon):2.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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