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Home > Other Heterocycles > 24798-36-5
24798-36-5 | 1-Thia-4,8-diazaspiro[4.5]decan-3-one, 8-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-4-methyl-, hydrochloride (1:1)
CAS No: 24798-36-5 Catalog No: AG002PGI MDL No:
Product Description
Catalog Number:
AG002PGI
Chemical Name:
1-Thia-4,8-diazaspiro[4.5]decan-3-one, 8-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-4-methyl-, hydrochloride (1:1)
CAS Number:
24798-36-5
Molecular Formula:
C18H25ClN2O3S
Molecular Weight:
384.9207
IUPAC Name:
8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
InChI:
InChI=1S/C18H24N2O3S.ClH/c1-19-17(21)13-24-18(19)7-10-20(11-8-18)9-6-14-12-22-15-4-2-3-5-16(15)23-14;/h2-5,14H,6-13H2,1H3;1H
InChI Key:
DPNJRBPLEODCQF-UHFFFAOYSA-N
SMILES:
O=C1CSC2(N1C)CCN(CC2)CCC1COc2c(O1)cccc2.Cl
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.919g/mol
Monoisotopic Mass:
384.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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