| CAS Number | 257946-66-0 |
| Catalog Number | AG01DUD6 |
| Chemical Name | (4-Benzoylpiperidin-1-yl)(3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl)methanone |
| IUPAC Name | [1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-phenylmethanone |
| InChI | InChI=1S/C23H20Cl2N2O3/c1-14-19(21(26-30-14)20-17(24)8-5-9-18(20)25)23(29)27-12-10-16(11-13-27)22(28)15-6-3-2-4-7-15/h2-9,16H,10-13H2,1H3 |
| InChI Key | WGCAZWGEIGGLKS-UHFFFAOYSA-N |
| MDL Number | MFCD00203353 |
| Molecular Formula | C23H20Cl2N2O3 |
| Molecular Weight | 443.3225 |
| SMILES | C(C1=CC=CC=C1)(=O)C1CCN(CC1)C(=O)C=1C(=NOC1C)C1=C(C=CC=C1Cl)Cl |
| Synonyms | Maybridge1_007624,
AC1MCCH7,
Oprea1_692121,
SCHEMBL6211216,
HMS563C12,
ZINC1043638,
CCG-246764,
MCULE-2103626289,
(4-benzoylpiperidin-1-yl)(3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl)methanone,
[1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-phenylmethanone,
257946-66-0,
CID2740741,
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| Complexity | 610 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 442.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 443.324g/mol |
| Monoisotopic Mass | 442.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number