Chemical ID: 5175298

CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2cc(ccc2C)C)c3cccnc3
Chemical ID:
5175298
Name [?]:
1-(3-diethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(3-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2cc(ccc2C)C)c3cccnc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H31N3O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.9286
Area:637.301
Solvation:-5.00393
Coulombic:-52.0097
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:421.532
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.88
LogP (Chemaxon):-0.36

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Experimental Annotations

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Descriptor Annotations

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