Chemical ID: 4379002

COc1ccc(cc1)N2C(=O)C(=Cc3cccn3c4ccc(cc4)F)C(=O)NC2=O
Chemical ID:
4379002
Name [?]:
5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylene]-1-(4-methoxyphenyl)-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
COc1ccc(cc1)N2C(=O)C(=Cc3cccn3c4ccc(cc4)F)C(=O)NC2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H16FN3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.36461
Area:552.466
Solvation:-5.44705
Coulombic:-62.9173
Bond Count [?]
All:33
Single:21
Double:12
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:405.379
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.16
LogP (Chemaxon):2.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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