Chemical ID: 4312734

CCCOC(=O)C1=C(N(C(=O)NC1c2cccc(c2)[N+](=O)[O-])C)C
Chemical ID:
4312734
Name [?]:
propyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCCOC(=O)C1=C(N(C(=O)NC1c2cccc(c2)[N+](=O)[O-])C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H19N3O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:5.41014
Area:502.189
Solvation:-7.14457
Coulombic:-62.0893
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.339
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.61
LogP (Chemaxon):1.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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