Chemical ID: 5267439

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC(C)C)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
5267439
Name [?]:
1-(2-diethylaminoethyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC(C)C)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H31N3O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:7.4741
Area:739.17
Solvation:-11.0052
Coulombic:-67.0682
Bond Count [?]
All:37
Single:27
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:481.541
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:4.46
LogP (Chemaxon):0.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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