| CAS Number | 313669-88-4 |
| Catalog Number | AG01EQ9C(AGN-PC-3H4772) |
| Chemical Name | 2-(3-bromo-4-methoxyphenyl)-3-[(4-chlorophenyl)sulfonyl]-thiazolidine |
| IUPAC Name | 2-(3-bromo-4-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine |
| InChI | InChI=1S/C16H15BrClNO3S2/c1-22-15-7-2-11(10-14(15)17)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3 |
| InChI Key | PNGJPVDGZNPZHY-UHFFFAOYSA-N |
| MDL Number | MFCD00825276 |
| Molecular Formula | C16H15BrClNO3S2 |
| Molecular Weight | 448.7822 |
| SMILES | BrC=1C=C(C=CC1OC)C1SCCN1S(=O)(=O)C1=CC=C(C=C1)Cl |
| Synonyms | 2-(3-bromo-4-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine,
AC1NEM3X,
GTPL9157,
SCHEMBL17282404,
STK754191,
AKOS001710398,
MCULE-7841656450,
ST032038,
EU-0051318,
A1179/0054658,
2-(3-bromo-4-methoxyphenyl)-3-[(4-chlorophenyl)sulfonyl]-1,3-thiazolidine,
2-(3-bromo-4-methoxyphenyl)-3-[(4-chlorophenyl)sulfonyl]-thiazolidine,
4-{[2-(3-bromo-4-methoxyphenyl)(1,3-thiazolidin-3-yl)]sulfonyl}-1-chlorobenzen e,
313669-88-4,
ZINC01085745,
BMS-986122,
CID4644453,
|
| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 446.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 448.774g/mol |
| Monoisotopic Mass | 446.937g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number