Chemical ID: 7151939

Cc1ccc(cc1)N2C(=O)C(C(=O)NC2=O)C=O
Chemical ID:
7151939
Name [?]:
2,4,6-trioxo-1-(p-tolyl)hexahydropyrimidine-5-carbaldehyde
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(C(=O)NC2=O)C=O
InChi [?]:
InChI=1/C12H10N2O4/c1-7-2-4-8(5-3-7)14-11(17)9(6-15)10(16)13-12(14)18/h2-6,9H,1H3,(H,13,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,17,2,5,11,12,9,15,14,8,18,13,10,16/E:(2,3)(4,5)/rA:18cCCCCCCCNCOCCONCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s12;s8s14;d15;s11;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N2O4
All Atoms:28
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:5.50457
Area:413.513
Solvation:-4.83325
Coulombic:-49.94
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.219
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.27
LogP (Chemaxon):0.5

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Descriptor Annotations

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