Chemical ID: 6779547

c1ccc(cc1)C[NH+]2CCN(CC2)C(=O)CCN3c4ccccc4OCC3=O
Chemical ID:
6779547
Name [?]:
10-[2-[(4-benzyl-2,3,5,6-tetrahydropyrazin-1-yl)carbonyl]ethyl]-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
c1ccc(cc1)C[NH+]2CCN(CC2)C(=O)CCN3c4ccccc4OCC3=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N3O3+
All Atoms:54
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:-19.4137
Area:601.646
Solvation:-34.4548
Coulombic:-10.5486
Bond Count [?]
All:31
Single:23
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.46
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.62
LogP (Chemaxon):1.53

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Experimental Annotations

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Descriptor Annotations

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