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1257294-60-2

1257294-60-2 | 4-Piperidinemethanol, 1-[[5-chloro-7-(4-morpholinyl)thiazolo[5,4-d]pyrimidin-2-yl]methyl]-α,α-dimethyl-

CAS No: 1257294-60-2 Catalog No: AG000OJW MDL No:MFCD22690811

Product Description

Catalog Number:
AG000OJW
Chemical Name:
4-Piperidinemethanol, 1-[[5-chloro-7-(4-morpholinyl)thiazolo[5,4-d]pyrimidin-2-yl]methyl]-α,α-dimethyl-
CAS Number:
1257294-60-2
Molecular Formula:
C18H26ClN5O2S
Molecular Weight:
411.9493
MDL Number:
MFCD22690811
IUPAC Name:
2-[1-[(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)methyl]piperidin-4-yl]propan-2-ol
InChI:
InChI=1S/C18H26ClN5O2S/c1-18(2,25)12-3-5-23(6-4-12)11-13-20-14-15(24-7-9-26-10-8-24)21-17(19)22-16(14)27-13/h12,25H,3-11H2,1-2H3
InChI Key:
NEHKWJPCCDEZSW-UHFFFAOYSA-N
SMILES:
Clc1nc(N2CCOCC2)c2c(n1)sc(n2)CN1CCC(CC1)C(O)(C)C

Properties

Complexity:
502  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.15g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
411.949g/mol
Monoisotopic Mass:
411.15g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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