Chemical ID: 6143481

CCOC(=O)CC1C(C(C(O1)n2cc(c(=O)[nH]c2=O)F)Br)C(=O)OCC
Chemical ID:
6143481
Name [?]:
ethyl 4-bromo-2-(ethoxycarbonylmethyl)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-tetrahydrofuran-3-carboxylate
SMILES [?]:
CCOC(=O)CC1C(C(C(O1)n2cc(c(=O)[nH]c2=O)F)Br)C(=O)OCC
InChi [?]:
InChI=1/C15H18BrFN2O7/c1-3-24-9(20)5-8-10(14(22)25-4-2)11(16)13(26-8)19-6-7(17)12(21)18-15(19)23/h6,8,10-11,13H,3-5H2,1-2H3,(H,18,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,2,25,6,13,14,7,4,8,9,15,10,22,18,21,20,17,12,5,16,23,19,3,24,11/rA:26cCCOCOCCCCCONCCCONCOFBrCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s10;s12;d13;s14;d15;s15;s12s17;d18;s14;s9;s8;d22;s22;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18BrFN2O7
All Atoms:26
Heavy Atoms:26
Chiral Atoms:4
ZAP Information [?]
Total:6.29191
Area:545.905
Solvation:-7.35572
Coulombic:-82.1727
Bond Count [?]
All:27
Single:22
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:437.215
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:0.57
LogP (Chemaxon):1.24

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Descriptor Annotations

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