Chemical ID: 4369857

CCC(C)OC(=O)C1=C(NC(=O)NC1c2cc(c(c(c2)OCC)O)[N+](=O)[O-])C
Chemical ID:
4369857
Name [?]:
sec-butyl 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILES [?]:
CCC(C)OC(=O)C1=C(NC(=O)NC1c2cc(c(c(c2)OCC)O)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H23N3O7
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:3.00744
Area:575.803
Solvation:-11.3876
Coulombic:-85.8061
Bond Count [?]
All:29
Single:22
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:393.391
H-Bond Donors:3
H-Bond Acceptors:10
XLogP:2.5
LogP (Chemaxon):1.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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