| CAS Number | 1354359-53-7 |
| Catalog Number | AG00A0N2(AGN-PC-0BRVRQ) |
| Chemical Name | JW 480 |
| IUPAC Name | (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate |
| InChI | InChI=1S/C22H23NO2/c1-16(2)20-9-5-6-10-21(20)25-22(24)23-14-13-17-11-12-18-7-3-4-8-19(18)15-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,24) |
| InChI Key | PCNJGBMWAZRVEA-UHFFFAOYSA-N |
| MDL Number | MFCD20926355 |
| Molecular Formula | C22H23NO2 |
| Molecular Weight | 333.4235 |
| SMILES | C1=C(C=CC2=CC=CC=C12)CCNC(OC1=C(C=CC=C1)C(C)C)=O |
| Synonyms | JW 480,
1354359-53-7,
JW-480,
PCNJGBMWAZRVEA-UHFFFAOYSA-N,
2-isopropylphenyl (2-(naphthalen-2-yl)ethyl)carbamate,
SCHEMBL4433152,
ZINC71746265,
AKOS024458096,
API0010265,
NCGC00387165-01,
J-006696,
2-Isopropylphenyl(2-(naphthalen-2-yl)ethyl)carbamate,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.431g/mol |
| Monoisotopic Mass | 333.173g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number