Chemical ID: 4854985

CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)Cl)c3cccc(c3)OCC=C
Chemical ID:
4854985
Name [?]:
5-(3-allyloxyphenyl)-4-(4-chlorobenzoyl)-1-(3-diethylaminopropyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)Cl)c3cccc(c3)OCC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H31ClN2O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.5805
Area:758.1
Solvation:-5.37196
Coulombic:-58.3122
Bond Count [?]
All:36
Single:26
Double:10
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:482.999
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.41
LogP (Chemaxon):1.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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