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2172651-73-7

2172651-73-7 | RMC-4550

CAS No: 2172651-73-7 Catalog No: AG01FNPY MDL No:

Product Description

Catalog Number:
AG01FNPY
Chemical Name:
RMC-4550
CAS Number:
2172651-73-7
Molecular Formula:
C21H26Cl2N4O2
Molecular Weight:
437.3627
IUPAC Name:
[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
InChI:
InChI=1S/C21H26Cl2N4O2/c1-12-18(14-4-3-5-15(22)17(14)23)26-16(10-28)20(25-12)27-8-6-21(7-9-27)11-29-13(2)19(21)24/h3-5,13,19,28H,6-11,24H2,1-2H3/t13-,19+/m0/s1
InChI Key:
IKUYEYLZXGGCRD-ORAYPTAESA-N
SMILES:
OCc1nc(c(nc1N1CCC2(CC1)CO[C@H]([C@H]2N)C)C)c1cccc(c1Cl)Cl
UNII:
2Q6NVG4EXB

Properties

Complexity:
563  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
436.143g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
437.365g/mol
Monoisotopic Mass:
436.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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