Chemical ID: 4692529

Cc1ccc(cc1)c2ccnc(n2)C3CN(C(=O)NC3=O)Cc4ccc(cc4)OC
Chemical ID:
4692529
Name [?]:
1-[(4-methoxyphenyl)methyl]-5-[4-(p-tolyl)pyrimidin-2-yl]-hexahydropyrimidine-2,4-dione
SMILES [?]:
Cc1ccc(cc1)c2ccnc(n2)C3CN(C(=O)NC3=O)Cc4ccc(cc4)OC
InChi [?]:
InChI=1/C23H22N4O3/c1-15-3-7-17(8-4-15)20-11-12-24-21(25-20)19-14-27(23(29)26-22(19)28)13-16-5-9-18(30-2)10-6-16/h3-12,19H,13-14H2,1-2H3,(H,26,28,29)
InChi Info:
AuxInfo=1/1/N:1,30,3,7,24,28,4,6,25,27,9,10,22,15,2,23,5,26,14,8,12,20,17,11,13,19,16,21,18,29/E:(3,4)(5,6)(7,8)(9,10)/rA:30cCCCCCCCCCCNCNCCNCONCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s12;s14;s15;s16;d17;s17;s14s19;d20;s16;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N4O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.8857
Area:629.558
Solvation:-4.85326
Coulombic:-56.7501
Bond Count [?]
All:33
Single:22
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:402.446
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.36
LogP (Chemaxon):3.95

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