Chemical ID: 4393928

CCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3cccc(c3)[N+](=O)[O-])CCCN(C)C)O
Chemical ID:
4393928
Name [?]:
1-(3-dimethylaminopropyl)-4-(4-ethoxy-3-methyl-benzoyl)-3-hydroxy-5-(3-nitrophenyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3cccc(c3)[N+](=O)[O-])CCCN(C)C)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29N3O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:7.35332
Area:735.983
Solvation:-11.0463
Coulombic:-66.2678
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:467.514
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.74
LogP (Chemaxon):-0.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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