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823794-80-5 | 5-Pyrimidinecarboxylic acid, 2-(2-furanyl)-4-(1-piperidinyl)-, ethyl ester
CAS No: 823794-80-5 Catalog No: AG004Y8Z MDL No:
Product Description
Catalog Number:
AG004Y8Z
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-(2-furanyl)-4-(1-piperidinyl)-, ethyl ester
CAS Number:
823794-80-5
Molecular Formula:
C16H19N3O3
Molecular Weight:
301.3404
IUPAC Name:
ethyl 2-(furan-2-yl)-4-piperidin-1-ylpyrimidine-5-carboxylate
InChI:
InChI=1S/C16H19N3O3/c1-2-21-16(20)12-11-17-14(13-7-6-10-22-13)18-15(12)19-8-4-3-5-9-19/h6-7,10-11H,2-5,8-9H2,1H3
InChI Key:
MGXZSWDZPRCFOB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1N1CCCCC1)c1ccco1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.346g/mol
Monoisotopic Mass:
301.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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