Chemical ID: 4401874

Cc1ccc(cc1)N2C(=O)C(=Cc3c(ccc4c3cc(cc4)OC)OC)C(=O)NC2=O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue