Chemical ID: 4126775

CCCCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])CCN(CC)CC)O
Chemical ID:
4126775
Name [?]:
4-(4-butoxy-3-methyl-benzoyl)-1-(2-diethylaminoethyl)-3-hydroxy-5-(4-nitrophenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])CCN(CC)CC)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H35N3O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:9.32596
Area:811.901
Solvation:-10.9716
Coulombic:-67.5511
Bond Count [?]
All:39
Single:29
Double:10
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:509.594
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:5.16
LogP (Chemaxon):1.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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