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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

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

CAS: 1628830-21-6

Formula: C29H37ClN6O5

SMILES: CNCC(O)COC1=CC(=C(Cl)C=C1)C1=NC(C2=C(C)ON=C2C)=C(C)C(=N1)N1CC2(C1)CCN(CC2)C(=O)OC

IUPAC: 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=1/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

Composition: C (59.53%), H (6.37%), Cl (6.06%), N (14.36%), O (13.67%)

Molar Mass: 585.1

Atom Count: 78

Heavy Atom Count: 41

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 584.251396
Formal Charge 0
FSP3 0.52
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey OWCOTUVKROVONT-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 167.89
Topological Polar Surface Area 126.08
Polarizability 61.3
Ring Count 5
Rotatable Bond Count 8

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 1628830-21-6 Quote Only