Chemical ID: 6744426

c1ccc(cc1)C2C(=C(C(=O)N2CC[NH+]3CC[NH2+]CC3)O)C(=O)c4ccccc4
Chemical ID:
6744426
Name [?]:
4-benzoyl-3-hydroxy-5-phenyl-1-[2-(2,3,5,6-tetrahydropyrazin-1-yl)ethyl]-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)C2C(=C(C(=O)N2CC[NH+]3CC[NH2+]CC3)O)C(=O)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H27N3O3+2
All Atoms:56
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:-99.9474
Area:603.86
Solvation:-115.044
Coulombic:78.2485
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.479
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:2.46
LogP (Chemaxon):-1.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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