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130049-80-8 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-7-methoxy-2-methyl-
CAS No: 130049-80-8 Catalog No: AG000TYH MDL No:
Product Description
Catalog Number:
AG000TYH
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-7-methoxy-2-methyl-
CAS Number:
130049-80-8
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
IUPAC Name:
3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C12H17ClN2O2/c1-8-10(5-6-13)12(16)15-7-9(17-2)3-4-11(15)14-8/h9H,3-7H2,1-2H3
InChI Key:
UVZFGKIIHMPPOW-UHFFFAOYSA-N
SMILES:
ClCCc1c(C)nc2n(c1=O)CC(CC2)OC
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.73g/mol
Monoisotopic Mass:
256.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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