Chemical ID: 7221969

COc1ccc(cc1)CC=C2C(=O)NC(=O)NC2=O
Chemical ID:
7221969
Name [?]:
5-[2-(4-methoxyphenyl)ethylidene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
COc1ccc(cc1)CC=C2C(=O)NC(=O)NC2=O
InChi [?]:
InChI=1/C13H12N2O4/c1-19-9-5-2-8(3-6-9)4-7-10-11(16)14-13(18)15-12(10)17/h2-3,5-7H,4H2,1H3,(H2,14,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,7,9,4,8,10,6,3,11,12,18,15,14,17,13,19,16,2/E:(2,3)(5,6)(11,12)(14,15)(16,17)/rA:19nCOCCCCCCCCCCONCONCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;s14;d15;s15;s11s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N2O4
All Atoms:31
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.00973
Area:442.858
Solvation:-4.06172
Coulombic:-59.1877
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:260.245
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.96
LogP (Chemaxon):0.83

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