Chemical ID: 4320418

COc1ccc(cc1O)C=C2C(=O)NC(=O)N(C2=O)c3ccccc3
Chemical ID:
4320418
Name [?]:
5-[(3-hydroxy-4-methoxy-phenyl)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
COc1ccc(cc1O)C=C2C(=O)NC(=O)N(C2=O)c3ccccc3
InChi [?]:
InChI=1/C18H14N2O5/c1-25-15-8-7-11(10-14(15)21)9-13-16(22)19-18(24)20(17(13)23)12-5-3-2-4-6-12/h2-10,21H,1H3,(H,19,22,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,5,4,10,7,6,20,11,8,3,12,18,15,14,17,9,13,19,16,2/E:(3,4)(5,6)/rA:25nCOCCCCCCOCCCONCONCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;w10;s11;d12;s12;s14;d15;s15;s11s17;d18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.09677
Area:516.461
Solvation:-5.81475
Coulombic:-71.0065
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:338.314
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.91
LogP (Chemaxon):2.08

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