Chemical ID: 7012004

CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)C)c3cccc(c3)Br
Chemical ID:
7012004
Name [?]:
5-(3-bromophenyl)-1-(3-diethylaminopropyl)-3-hydroxy-4-(4-methylbenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)C)c3cccc(c3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29BrN2O3
All Atoms:60
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.6818
Area:705.098
Solvation:-3.94561
Coulombic:-49.8344
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:485.413
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.49
LogP (Chemaxon):1.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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