Chemical ID: 4266109

CC1=C(C(NC(=O)N1C)c2cccc(c2)[N+](=O)[O-])C(=O)OC
Chemical ID:
4266109
Name [?]:
methyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=O)N1C)c2cccc(c2)[N+](=O)[O-])C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H15N3O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:4.03331
Area:465.639
Solvation:-7.60767
Coulombic:-61.1668
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.286
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:0.82
LogP (Chemaxon):0.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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