Chemical ID: 4842705

Cc1ccc(c(c1)N2C(=O)C(=Cc3cc(c(cc3OC)OC)OC)C(=O)NC2=O)C
Chemical ID:
4842705
Name [?]:
1-(2,5-dimethylphenyl)-5-[(2,4,5-trimethoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3cc(c(cc3OC)OC)OC)C(=O)NC2=O)C
InChi [?]:
InChI=1/C22H22N2O6/c1-12-6-7-13(2)16(8-12)24-21(26)15(20(25)23-22(24)27)9-14-10-18(29-4)19(30-5)11-17(14)28-3/h6-11H,1-5H3,(H,23,25,27)
InChi Info:
AuxInfo=1/1/N:1,30,20,24,22,3,4,7,12,14,17,2,5,13,11,6,18,15,16,25,9,28,27,8,26,10,29,19,23,21/rA:30nCCCCCCCNCOCCCCCCCCOCOCOCCONCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s15;s23;s11;d25;s25;s8s27;d28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.24979
Area:595.009
Solvation:-7.62545
Coulombic:-67.8094
Bond Count [?]
All:32
Single:22
Double:10
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:410.42
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.54
LogP (Chemaxon):2.79

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Descriptor Annotations

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