Chemical ID: 4404869

Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C(C)(C)C)CCCOC)O
Chemical ID:
4404869
Name [?]:
3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5-(4-tert-butylphenyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C(C)(C)C)CCCOC)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H33NO5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.3595
Area:717.872
Solvation:-6.58727
Coulombic:-58.9901
Bond Count [?]
All:35
Single:26
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:451.555
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.32
LogP (Chemaxon):3.95

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Experimental Annotations

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Descriptor Annotations

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