Chemical ID: 4108222

CCCCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3cccc(c3)[N+](=O)[O-])Cc4cccnc4)O
Chemical ID:
4108222
Name [?]:
4-(4-butoxy-3-methyl-benzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3cccc(c3)[N+](=O)[O-])Cc4cccnc4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H27N3O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:7.72082
Area:765.246
Solvation:-11.4103
Coulombic:-66.7058
Bond Count [?]
All:40
Single:27
Double:13
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:501.531
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.92
LogP (Chemaxon):3.44

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Descriptor Annotations

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