| CAS Number | 168828-71-5 |
| Catalog Number | AG00ITWX(AGN-PC-0Q9BRJ) |
| Chemical Name | benzyl N-[3-fluoro-4-(thiomorpholin-4-yl)phenyl]carbamate |
| IUPAC Name | benzyl N-(3-fluoro-4-thiomorpholin-4-ylphenyl)carbamate |
| InChI | InChI=1S/C18H19FN2O2S/c19-16-12-15(6-7-17(16)21-8-10-24-11-9-21)20-18(22)23-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22) |
| InChI Key | IFTVWPQLBCYBPN-UHFFFAOYSA-N |
| MDL Number | MFCD28016162 |
| Molecular Formula | C18H19FN2O2S |
| Molecular Weight | 346.4191 |
| SMILES | O=C(OCC1=CC=CC=C1)NC2=CC=C(N3CCSCC3)C(F)=C2 |
| Synonyms | 168828-71-5,
benzyl N-[3-fluoro-4-(thiomorpholin-4-yl)phenyl]carbamate,
Benzyl (3-fluoro-4-thiomorpholinophenyl)carbamate,
SCHEMBL8306382,
IFTVWPQLBCYBPN-UHFFFAOYSA-N,
MFCD28016162,
ZINC39138139,
AKOS022193602,
SS-4785,
CS-0036889,
benzyl N-(3-fluoro-4-thiomorpholin-4-ylphenyl)carbamate,
4-[2-fluoro-4-(benzyloxycarbonyl)aminophenyl]thiomorpholine,
N-(3-Fluoro-4-thiomorpholinophenyl)carbamic acid benzyl ester,
CID10641717,
Benzyl N-(3-fluoro-4-thiomorpholin-4-yl-phenyl)carbamate,
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| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.42g/mol |
| Monoisotopic Mass | 346.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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