Chemical ID: 4289546

CC1=C(C(NC(=O)N1)c2ccc(c(c2)[N+](=O)[O-])O)C(=O)OCCc3ccccc3
Chemical ID:
4289546
Name [?]:
phenethyl 4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=O)N1)c2ccc(c(c2)[N+](=O)[O-])O)C(=O)OCCc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19N3O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:5.03131
Area:584.143
Solvation:-9.57225
Coulombic:-81.8563
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:397.381
H-Bond Donors:3
H-Bond Acceptors:9
XLogP:2.79
LogP (Chemaxon):1.92

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Experimental Annotations

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Descriptor Annotations

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