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Chemical ID: 4338061
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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