ChemDB: Chemical Search
Download
Chemical ID: 4508134
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|