Chemical ID: 6616161

COc1cccc(c1)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccc(cc4)OCC=C
Chemical ID:
6616161
Name [?]:
4-(4-allyloxybenzoyl)-3-hydroxy-5-(3-methoxyphenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1cccc(c1)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccc(cc4)OCC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H24N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.6131
Area:705.438
Solvation:-7.02286
Coulombic:-63.9117
Bond Count [?]
All:37
Single:24
Double:13
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:456.49
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.1
LogP (Chemaxon):2.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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