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201038-74-6

201038-74-6 | Phenol, 3-[[(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]-

CAS No: 201038-74-6 Catalog No: AG002D6E MDL No:MFCD08056273

Product Description

Catalog Number:
AG002D6E
Chemical Name:
Phenol, 3-[[(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]-
CAS Number:
201038-74-6
Molecular Formula:
C18H28N2O3S
Molecular Weight:
352.4915
MDL Number:
MFCD08056273
IUPAC Name:
3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol
InChI:
InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
InChI Key:
HWKROQUZSKPIKQ-MRXNPFEDSA-N
SMILES:
CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O

Properties

Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
352.182g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
352.493g/mol
Monoisotopic Mass:
352.182g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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