| CAS Number | 1628830-21-6 |
| Catalog Number | AG01EB2F |
| Chemical Name | EZM 2302 |
| IUPAC Name | methyl 2-[2-[2-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate |
| InChI | InChI=1S/C29H37ClN6O5/c1-17-25(24-18(2)34-41-19(24)3)32-26(22-12-21(6-7-23(22)30)40-14-20(37)13-31-4)33-27(17)36-15-29(16-36)8-10-35(11-9-29)28(38)39-5/h6-7,12,20,31,37H,8-11,13-16H2,1-5H3 |
| InChI Key | OWCOTUVKROVONT-UHFFFAOYSA-N |
| MDL Number | MFCD31657380 |
| Molecular Formula | C29H37ClN6O5 |
| Molecular Weight | 585.0943 |
| SMILES | C(=O)(OC)N1CCC2(CC1)CN(C2)c1c(C)c(nc(n1)c1cc(OC[C@@H](CNC)O)ccc1Cl)c1c(C)noc1C |
| Synonyms | 1628830-21-6,
EZM 2302,
SCHEMBL16058458,
AK00780970,
methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate,
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| Complexity | 873 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 584.251g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 585.102g/mol |
| Monoisotopic Mass | 584.251g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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