| CAS Number | 928320-12-1 |
| Catalog Number | AG01E5US(AGN-PC-0ONFRE) |
| Chemical Name | N-[(1S)-2-Hydroxy-1-phenylethyl]-N‘-[4-(4-pyridinyl)phenyl]urea |
| IUPAC Name | 1-[(1S)-2-hydroxy-1-phenylethyl]-3-(4-pyridin-4-ylphenyl)urea |
| InChI | InChI=1S/C20H19N3O2/c24-14-19(17-4-2-1-3-5-17)23-20(25)22-18-8-6-15(7-9-18)16-10-12-21-13-11-16/h1-13,19,24H,14H2,(H2,22,23,25)/t19-/m1/s1 |
| InChI Key | WDTFYYZHMRBVHK-LJQANCHMSA-N |
| MDL Number | MFCD26792591 |
| Molecular Formula | C20H19N3O2 |
| Molecular Weight | 333.3838 |
| SMILES | OC[C@H](C1=CC=CC=C1)NC(=O)NC1=CC=C(C=C1)C1=CC=NC=C1 |
| Synonyms | 1-(2-hydroxy-1-phenylethyl)-3-(4-(pyridin-4-yl)phenyl)urea,
AS 1892802,
AS-1892802,
AS1892802,
928320-12-1,
AS 1892802,
CHEMBL2023158,
AS1892802,
AS-1892802,
SCHEMBL4531729,
WDTFYYZHMRBVHK-LJQANCHMSA-N,
BDBM50382684,
ZINC43152493,
AKOS024458423,
NCGC00379234-02,
(S)-1-(2-hydroxy-1-phenylethyl)-3-(4-(pyridin-4-yl)phenyl)urea,
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(4-pyridinyl)phenyl]urea,
N-[(1S)-2-Hydroxy-1-phenylethyl]-N'-[4-(4-pyridinyl)phenyl]-urea,
C552258,
1-(2-hydroxy-1-phenylethyl)-3-(4-(pyridin-4-yl)phenyl)urea,
|
| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.391g/mol |
| Monoisotopic Mass | 333.148g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number