Chemical ID: 4316006

CCOCCOC(=O)C1=C(N(C(=O)NC1c2cccc(c2)[N+](=O)[O-])C)C
Chemical ID:
4316006
Name [?]:
2-ethoxyethyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCOCCOC(=O)C1=C(N(C(=O)NC1c2cccc(c2)[N+](=O)[O-])C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H21N3O6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:4.99953
Area:535.838
Solvation:-8.39641
Coulombic:-69.3434
Bond Count [?]
All:27
Single:20
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:363.365
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:1.06
LogP (Chemaxon):0.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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