Chemical ID: 6044299

C=CCN1C2=C(C(NC1=O)c3ccccc3)C(=O)N(C2)Cc4cccnc4
Chemical ID:
6044299
Name [?]:
2-allyl-5-phenyl-8-(3-pyridylmethyl)-2,4,8-triazabicyclo[4.3.0]non-10-ene-3,7-dione
SMILES [?]:
C=CCN1C2=C(C(NC1=O)c3ccccc3)C(=O)N(C2)Cc4cccnc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20N4O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.38
Area:558.041
Solvation:-3.57106
Coulombic:-54.1086
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.409
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.2
LogP (Chemaxon):0.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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