| CAS Number | 1680196-54-6 |
| Catalog Number | AG01DTPR |
| Chemical Name | N-[3-hydroxy-5-(2-thienyl)phenyl]-N'-2-naphthalenyl-urea |
| IUPAC Name | 1-(3-hydroxy-5-thiophen-2-ylphenyl)-3-naphthalen-2-ylurea |
| InChI | InChI=1S/C21H16N2O2S/c24-19-12-16(20-6-3-9-26-20)11-18(13-19)23-21(25)22-17-8-7-14-4-1-2-5-15(14)10-17/h1-13,24H,(H2,22,23,25) |
| InChI Key | OBTSACXGWYGCPK-UHFFFAOYSA-N |
| MDL Number | MFCD29079017 |
| Molecular Formula | C21H16N2O2S |
| Molecular Weight | 360.4289 |
| SMILES | O=C(NC1=CC(O)=CC(C2=CC=CS2)=C1)NC3=CC4=CC=CC=C4C=C3 |
| Synonyms | FzM1,
1680196-54-6,
1-(3-hydroxy-5-(thiophen-2-yl)phenyl)-3-(naphthalen-2-yl)urea,
GTPL10322,
AOB5761,
FzM1, >=98% (HPLC),
ZINC223775199,
AS-16918,
N-[3-hydroxy-5-(2-thienyl)phenyl]-N'-2-naphthalenyl-urea,
3-[3-hydroxy-5-(thiophen-2-yl)phenyl]-1-(naphthalen-2-yl)urea,
OBTSACXGWYGCPK-UHFFFAOYSA-N,
|
| Complexity | 489 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.431g/mol |
| Monoisotopic Mass | 360.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number