Chemical ID: 5227065

Cn1cc(c(=O)n(c1=O)C)n2c(=O)n(c(=O)[nH]2)c3ccccc3
Chemical ID:
5227065
Name [?]:
5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1,3-dimethyl-pyrimidine-2,4-dione
SMILES [?]:
Cn1cc(c(=O)n(c1=O)C)n2c(=O)n(c(=O)[nH]2)c3ccccc3
InChi [?]:
InChI=1/C14H13N5O4/c1-16-8-10(11(20)17(2)13(16)22)19-14(23)18(12(21)15-19)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,15,21)
InChi Info:
AuxInfo=1/1/N:1,10,21,20,22,19,23,3,18,4,5,15,8,12,17,2,7,14,11,6,16,9,13/E:(4,5)(6,7)/rA:23nCNCCCONCOCNCONCONCCCCCC/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N5O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.65348
Area:477.98
Solvation:-2.29602
Coulombic:-79.7614
Bond Count [?]
All:25
Single:17
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:315.284
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.09
LogP (Chemaxon):1.11

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