Chemical ID: 4632690

COc1ccccc1N2C(=O)C(=CNCCN3CCOCC3)C(=O)NC2=O
Chemical ID:
4632690
Name [?]:
1-(2-methoxyphenyl)-5-(2-morpholinoethylaminomethylene)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
COc1ccccc1N2C(=O)C(=CNCCN3CCOCC3)C(=O)NC2=O
InChi [?]:
InChI=1/C18H22N4O5/c1-26-15-5-3-2-4-14(15)22-17(24)13(16(23)20-18(22)25)12-19-6-7-21-8-10-27-11-9-21/h2-5,12,19H,6-11H2,1H3,(H,20,23,25)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,15,16,18,22,19,21,13,12,8,3,23,10,26,14,25,17,9,24,11,27,2,20/E:(8,9)(10,11)/rA:27nCOCCCCCCNCOCCNCCNCCOCCCONCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;s12;d23;s23;s9s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N4O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.81339
Area:584.038
Solvation:-5.78757
Coulombic:-79.2088
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:374.391
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:-0.21
LogP (Chemaxon):-1.03

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