| CAS Number | 1357160-72-5 |
| Catalog Number | AG009BP2(AGN-PC-0WCR65) |
| Chemical Name | URB937 |
| IUPAC Name | [3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate |
| InChI | InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25) |
| InChI Key | CMEQHOXCIGFZNJ-UHFFFAOYSA-N |
| MDL Number | MFCD22987960 |
| Molecular Formula | C20H22N2O4 |
| Molecular Weight | 354.3997 |
| SMILES | C1(CCCCC1)NC(OC=1C=C(C(=CC1)O)C1=CC(=CC=C1)C(N)=O)=O |
| Synonyms | URB937,
1357160-72-5,
URB937,
3'-carbamoyl-6-hydroxybiphenyl-3-yl cyclohexylcarbamate,
CMEQHOXCIGFZNJ-UHFFFAOYSA-N,
CHEMBL2402927,
URB 937,
SCHEMBL528582,
URB-937,
BDBM50437227,
ZINC43207849,
NCGC00351474-02,
cyclohexylcarbamic acid 3'-carbamoyl-6-hydroxybiphenyl-3-yl ester,
|
| Complexity | 492 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.406g/mol |
| Monoisotopic Mass | 354.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number