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1439824-03-9 | Thieno[3,2-d]pyrimidine, 2-chloro-6-[[1-(cyclopropylmethyl)-4-piperidinyl]methyl]-4-(4-morpholinyl)-
CAS No: 1439824-03-9 Catalog No: AG001IOV MDL No:MFCD22690802
Product Description
Catalog Number:
AG001IOV
Chemical Name:
Thieno[3,2-d]pyrimidine, 2-chloro-6-[[1-(cyclopropylmethyl)-4-piperidinyl]methyl]-4-(4-morpholinyl)-
CAS Number:
1439824-03-9
Molecular Formula:
C20H27ClN4OS
Molecular Weight:
406.9726
MDL Number:
MFCD22690802
IUPAC Name:
4-[2-chloro-6-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
InChI:
InChI=1S/C20H27ClN4OS/c21-20-22-17-12-16(11-14-3-5-24(6-4-14)13-15-1-2-15)27-18(17)19(23-20)25-7-9-26-10-8-25/h12,14-15H,1-11,13H2
InChI Key:
JJLFLNADNRVYNN-UHFFFAOYSA-N
SMILES:
Clc1nc2cc(sc2c(n1)N1CCOCC1)CC1CCN(CC1)CC1CC1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.159g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.973g/mol
Monoisotopic Mass:
406.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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