| CAS Number | 1456632-41-9 |
| Catalog Number | AG01EO6U(AGN-PC-0WNHDJ) |
| Chemical Name | 4-[[(4-Cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]-N-hydroxybenzamide |
| IUPAC Name | 4-[(4-cyclohexylphenyl)methyl-[2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]acetyl]amino]-N-hydroxybenzamide |
| InChI | InChI=1S/C29H28F5N3O5S/c1-36(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)16-22(38)37(21-13-11-20(12-14-21)29(39)35-40)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18,40H,2-6,15-16H2,1H3,(H,35,39) |
| InChI Key | QPSUYVALAOXFGL-UHFFFAOYSA-N |
| MDL Number | MFCD30718177 |
| Molecular Formula | C29H28F5N3O5S |
| Molecular Weight | 625.6067 |
| SMILES | CN(CC(=O)N(Cc1ccc(cc1)C2CCCCC2)c3ccc(cc3)C(=O)NO)S(=O)(=O)c4c(c(c(c(c4F)F)F)F)F |
| Synonyms | SH5-07,
1456632-41-9,
CHEMBL3108910,
SCHEMBL16766371,
BCP18388,
BCP19924,
EX-A1293,
BDBM50446145,
s7923,
SH5 07,
AKOS032960465,
ZINC103251494,
CS-6232,
SH-5-07,
(SH-5-07,
SH5-07 (SH-5-07),
HY-100494,
AK00783581,
|
| Complexity | 1030 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 625.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 625.611g/mol |
| Monoisotopic Mass | 625.167g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number