| CAS Number | 1642303-04-5 |
| Catalog Number | AG019EWD(AGN-PC-0WG4CO) |
| Chemical Name | (3S)-2-(4-Bromo-2-fluorobenzyl)-3-methyl-6-phenyl-1,2-thiazinane 1,1-dioxide |
| IUPAC Name | (3S)-2-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide |
| InChI | InChI=1S/C18H19BrFNO2S/c1-13-7-10-18(14-5-3-2-4-6-14)24(22,23)21(13)12-15-8-9-16(19)11-17(15)20/h2-6,8-9,11,13,18H,7,10,12H2,1H3/t13-,18?/m0/s1 |
| InChI Key | BWBAYLDCGGSPNA-FVRDMJKUSA-N |
| MDL Number | MFCD30185794 |
| Molecular Formula | C18H19BrFNO2S |
| Molecular Weight | 412.3164 |
| SMILES | Brc1ccc(c(c1)F)CN1[C@@H](C)CCC(S1(=O)=O)c1ccccc1 |
| Synonyms | 1642303-04-5,
(3S)-2-(4-Bromo-2-fluorobenzyl)-3-methyl-6-phenyl-1,2-thiazinane 1,1-dioxide,
SCHEMBL15432257,
BWBAYLDCGGSPNA-FVRDMJKUSA-N,
CS-0036243,
(35)-2-[(4-bromo-2-fluoro-phenyl)methyl]-3-methyl-6-phenyl-thiazinane 1,1-dioxide,
(3S)-2-(4-Bromo-2-fluorobenzyl)-3-methyl-6-phenyl-1,2-thiazinane1,1-dioxide,
(3S)-2-[(4-bromo-2-fluoro-phenyl)methyl]-3-methyl-6-phenyl-thiazinane 1,1-dioxide,
|
| Complexity | 518 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 411.03039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 412.3g/mol |
| Monoisotopic Mass | 411.03039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.8Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number