| CAS Number | 1609564-75-1 |
| Catalog Number | AG01E2HF(AGN-PC-0WP122) |
| Chemical Name | DY268 |
| IUPAC Name | 1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide |
| InChI | InChI=1S/C30H32N4O5S/c1-21-7-10-24(11-8-21)29-27(20-33(32-29)19-23-5-4-6-26(17-23)38-3)30(35)31-25-12-9-22(2)28(18-25)40(36,37)34-13-15-39-16-14-34/h4-12,17-18,20H,13-16,19H2,1-3H3,(H,31,35) |
| InChI Key | KQSPAAPFKIEUGH-UHFFFAOYSA-N |
| MDL Number | MFCD30182341 |
| Molecular Formula | C30H32N4O5S |
| Molecular Weight | 560.6639 |
| SMILES | O=C(C1=CN(CC2=CC=CC(OC)=C2)N=C1C3=CC=C(C)C=C3)NC4=CC=C(C)C(S(=O)(N5CCOCC5)=O)=C4 |
| Synonyms | 1609564-75-1,
CHEMBL3264644,
DY268,
DY 268,
SCHEMBL16974048,
BDBM50015421,
AKOS027470244,
ZINC169340215,
A16077,
1-(3-methoxybenzyl)-N-(4-methyl-3-(morpholinosulfonyl)phenyl)-3-p-tolyl-1H-pyrazole-4-carboxamide,
1-[(3-Methoxyphenyl)methyl]-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-3-(4-methylphenyl)-1H-pyrazole-4-carboxamide,
KQSPAAPFKIEUGH-UHFFFAOYSA-N,
|
| Complexity | 931 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 560.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 560.669g/mol |
| Monoisotopic Mass | 560.209g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number