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Chemical ID: 4401874
Chemical ID:
4401874
Name [?]:
5-[(2,7-dimethoxy-1-naphthyl)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(=Cc3c(ccc4c3cc(cc4)OC)OC)C(=O)NC2=O
InChi [?]:
InChI=1/C24H20N2O5/c1-14-4-8-16(9-5-14)26-23(28)20(22(27)25-24(26)29)13-19-18-12-17(30-2)10-6-15(18)7-11-21(19)31-3/h4-13H,1-3H3,(H,25,27,29)
InChi Info:
AuxInfo=1/1/N:1,24,26,3,7,22,16,4,6,21,15,19,12,2,17,5,20,18,13,11,14,27,9,30,29,8,28,10,31,23,25/E:(4,5)(8,9)/rA:31nCCCCCCCNCOCCCCCCCCCCCCOCOCCONCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s20;s23;s14;s25;s11;d27;s27;s8s29;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.72704 |
Area: | 605.311 |
Solvation: | -5.40574 |
Coulombic: | -63.0135 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 416.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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