Chemical ID: 4206752

CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4206752
Name [?]:
4-benzoyl-1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-nitrophenyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23N3O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:6.18023
Area:636.044
Solvation:-9.72086
Coulombic:-60.3883
Bond Count [?]
All:32
Single:22
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:409.435
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.18
LogP (Chemaxon):-0.69

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Experimental Annotations

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Descriptor Annotations

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