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1147422-73-8 | Thieno[3,2-d]pyrimidine, 2-chloro-4-(4-morpholinyl)-6-[[4-(tetrahydro-3-furanyl)-1-piperazinyl]methyl]-
CAS No: 1147422-73-8 Catalog No: AG000F4P MDL No:MFCD22690812
Product Description
Catalog Number:
AG000F4P
Chemical Name:
Thieno[3,2-d]pyrimidine, 2-chloro-4-(4-morpholinyl)-6-[[4-(tetrahydro-3-furanyl)-1-piperazinyl]methyl]-
CAS Number:
1147422-73-8
Molecular Formula:
C19H26ClN5O2S
Molecular Weight:
423.9600
MDL Number:
MFCD22690812
IUPAC Name:
4-[2-chloro-6-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
InChI:
InChI=1S/C19H26ClN5O2S/c20-19-21-16-11-15(28-17(16)18(22-19)25-6-9-26-10-7-25)12-23-2-4-24(5-3-23)14-1-8-27-13-14/h11,14H,1-10,12-13H2
InChI Key:
CZTABRJQBMFTTE-UHFFFAOYSA-N
SMILES:
Clc1nc2cc(sc2c(n1)N1CCOCC1)CN1CCN(CC1)C1COCC1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.15g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.96g/mol
Monoisotopic Mass:
423.15g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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