| CAS Number | 186390-48-7 |
| Catalog Number | AG00ADFD(AGN-PC-0QFEC7) |
| Chemical Name | CP 346,086 |
| IUPAC Name | 2-[[3-(4-chlorophenyl)-3-[4-(1,3-thiazole-2-carbonyl)phenoxy]propyl]-methylamino]acetic acid |
| InChI | InChI=1S/C22H21ClN2O4S/c1-25(14-20(26)27)12-10-19(15-2-6-17(23)7-3-15)29-18-8-4-16(5-9-18)21(28)22-24-11-13-30-22/h2-9,11,13,19H,10,12,14H2,1H3,(H,26,27) |
| InChI Key | PFYHOXGTFSSYBE-UHFFFAOYSA-N |
| MDL Number | MFCD28369399 |
| Molecular Formula | C26H22F3N5O |
| Molecular Weight | 477.4810 |
| SMILES | O=C(C1=C(C2=CC=C(C(F)(F)F)C=C2)C=CC=C1)NC3=CC=C4C(CCN(C4)CC5=NN=CN5)=C3 |
| Synonyms | CP 346086 Dihydrate,
186390-48-7,
SCHEMBL6823186,
DTXSID10648093,
(3-(4-chloro-phenyl)-3[4-(thiazole-2-carbonyl)-phenoxy]-propyl-methyl-amino)-acetic acid,
N-{3-(4-Chlorophenyl)-3-[4-(1,3-thiazole-2-carbonyl)phenoxy]propyl}-N-methylglycine,
N-[1,2,3,4-Tetrahydro-2-(1H-1,2,4-triazol-5-ylmethyl)-6-isoquinolinyl]-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxamide Dihydrate,
CP-802079 hydrochloride hydrate,
736175-49-8,
|
| Complexity | 565 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 444.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 444.93g/mol |
| Monoisotopic Mass | 444.091g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number