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Chemical ID: 7380285
Chemical ID:
7380285
Name [?]:
5-[(4-benzyloxy-3-methoxy-phenyl)methylene]-1-(2,4,6-trimethylphenyl)-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1cc(c(c(c1)C)N2C(=O)C(=Cc3ccc(c(c3)OC)OCc4ccccc4)C(=O)NC2=O)C
InChi [?]:
InChI=1/C28H26N2O5/c1-17-12-18(2)25(19(3)13-17)30-27(32)22(26(31)29-28(30)33)14-21-10-11-23(24(15-21)34-4)35-16-20-8-6-5-7-9-20/h5-15H,16H2,1-4H3,(H,29,31,33)
InChi Info:
AuxInfo=1/1/N:1,8,35,21,27,26,28,25,29,15,16,7,3,13,19,23,2,6,4,24,14,12,17,18,5,30,10,33,32,9,31,11,34,20,22/E:(2,3)(6,7)(8,9)(12,13)(18,19)/rA:35nCCCCCCCCNCOCCCCCCCCOCOCCCCCCCCONCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s23;s24;d25;s26;d27;d24s28;s12;d30;s30;s9s32;d33;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H26N2O5 |
All Atoms: | 61 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6656 |
Area: | 704.138 |
Solvation: | -6.93779 |
Coulombic: | -63.4758 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 470.517 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.56 |
LogP (Chemaxon): | 5.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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