Chemical ID: 4508134

CC1=C(C(NC(=O)N1)c2ccc(cc2)O)C(=O)Nc3ccccc3OC
Chemical ID:
4508134
Name [?]:
4-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILES [?]:
CC1=C(C(NC(=O)N1)c2ccc(cc2)O)C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C19H19N3O4/c1-11-16(18(24)21-14-5-3-4-6-15(14)26-2)17(22-19(25)20-11)12-7-9-13(23)10-8-12/h3-10,17,23H,1-2H3,(H,21,24)(H2,20,22,25)
InChi Info:
AuxInfo=1/1/N:1,26,21,22,20,23,10,14,11,13,2,9,12,19,24,3,4,16,6,8,18,5,15,17,7,25/E:(7,8)(9,10)/rA:26cCCCCNCONCCCCCCOCONCCCCCCOC/rB:s1;d2;s3;s4;s5;d6;s2s6;s4;s9;d10;s11;d12;d9s13;s12;s3;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.96297
Area:542.267
Solvation:-4.59371
Coulombic:-79.4965
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.372
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:1.46
LogP (Chemaxon):1.19

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