Chemical ID: 4275688

Cc1ccccc1N2C(=O)C(=Cc3ccc(c(c3)OC)O)C(=O)NC2=O
Chemical ID:
4275688
Name [?]:
5-[(4-hydroxy-3-methoxy-phenyl)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccccc1N2C(=O)C(=Cc3ccc(c(c3)OC)O)C(=O)NC2=O
InChi [?]:
InChI=1/C19H16N2O5/c1-11-5-3-4-6-14(11)21-18(24)13(17(23)20-19(21)25)9-12-7-8-15(22)16(10-12)26-2/h3-10,22H,1-2H3,(H,20,23,25)
InChi Info:
AuxInfo=1/1/N:1,20,4,5,3,6,14,15,12,18,2,13,11,7,16,17,22,9,25,24,8,21,23,10,26,19/rA:26nCCCCCCCNCOCCCCCCCCOCOCONCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s11;d22;s22;s8s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.50224
Area:530.276
Solvation:-5.75465
Coulombic:-70.9292
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:352.341
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.14
LogP (Chemaxon):2.55

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