Chemical ID: 4338061

Cc1cc(ccc1C=C2C(=O)NC(=O)N(C2=O)c3ccc(cc3)OC)OC
Chemical ID:
4338061
Name [?]:
5-[(4-methoxy-2-methyl-phenyl)methylene]-1-(4-methoxyphenyl)-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1cc(ccc1C=C2C(=O)NC(=O)N(C2=O)c3ccc(cc3)OC)OC
InChi [?]:
InChI=1/C20H18N2O5/c1-12-10-16(27-3)7-4-13(12)11-17-18(23)21-20(25)22(19(17)24)14-5-8-15(26-2)9-6-14/h4-11H,1-3H3,(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,27,6,19,23,5,20,22,3,8,2,7,18,21,4,9,10,16,13,12,15,11,17,14,24,26/E:(5,6)(8,9)/rA:27nCCCCCCCCCCONCONCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s10;s12;d13;s13;s9s15;d16;s15;s18;d19;s20;d21;d18s22;s21;s24;s4;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.20099
Area:556.507
Solvation:-5.71168
Coulombic:-61.6885
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:366.367
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.67
LogP (Chemaxon):2.58

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Descriptor Annotations

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