Chemical ID: 4126452

Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])CCN(C)C)O
Chemical ID:
4126452
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])CCN(C)C)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H25N3O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:5.80845
Area:679.592
Solvation:-11.1814
Coulombic:-66.1322
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:439.461
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.96
LogP (Chemaxon):-0.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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