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1020719-55-4 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl-1,1,2,2-d4]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-
CAS No: 1020719-55-4 Catalog No: AG0006J9 MDL No:
Product Description
Catalog Number:
AG0006J9
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl-1,1,2,2-d4]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-
CAS Number:
1020719-55-4
Molecular Formula:
C23H23D4FN4O3
Molecular Weight:
430.5085
IUPAC Name:
9-hydroxy-2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/i8D2,12D2
InChI Key:
PMXMIIMHBWHSKN-FJVJJXCISA-N
SMILES:
Fc1ccc2c(c1)onc2C1CCN(CC1)C(C(c1c(C)nc2n(c1=O)CCCC2O)([2H])[2H])([2H])[2H]
Properties
Complexity:
764
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.232g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
4
Molecular Weight:
430.517g/mol
Monoisotopic Mass:
430.232g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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