200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1299470-39-5
1299470-39-5 | Ethanone, 1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]-, hydrochloride (1:1)
CAS No: 1299470-39-5 Catalog No: AG000TT1 MDL No:
Product Description
Catalog Number:
AG000TT1
Chemical Name:
Ethanone, 1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]-, hydrochloride (1:1)
CAS Number:
1299470-39-5
Molecular Formula:
C24H28ClFN2O4
Molecular Weight:
462.9415
IUPAC Name:
1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone;hydrochloride
InChI:
InChI=1S/C24H27FN2O4.ClH/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24;/h4-7,14-15,17H,3,8-13H2,1-2H3;1H
InChI Key:
FGACDTCLJARDGD-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C.Cl
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.172g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
462.946g/mol
Monoisotopic Mass:
462.172g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.